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By P. D. Dr. Ernö Pretsch, Professor Dr. Thomas Clerc, Professor Dr. Joseph Seibl, Professor Dr. Wilhelm Simon (auth.)

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Extra resources for Tables of Spectral Data for Structure Determination of Organic Compounds

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N+n* (1. 7) OfOjQ ~ a) (4-5) n+o* (2. 0) 3) R-NO (1. ~a) " ~~~~ -+ 11* (conjug. -::~::: ---~-- n + n* ---~-- ~,1[ -+ 11* (conjug. Systems)~~~~~---:_: ---"'~-- n + n*' ---~--- -~n -" I -+ o*{:: o* 200 a) 400 600 nm longest wavelength absorption maximum B70 tJ:! 2 ppm 5-60 ppm Range found outside of the quoted range if present in three-membered rings and coupling constants cycloalkanes: chemical shifts coupling constants reference data, alkanes: chemical shifts found outside of the quoted range if present in three-membered rings or based on relaxation times by partial ("off resonance") uncoupled spectra -CH 3 , -cH 2 -, )CH- and ~C~ can be differentiated cycloalkanes reference data: alkanes Comments Characteristic Spectroscopic Data for Alkanes and Saturated Alicyclics Hl85 H20 HS cso cs Details see page: I I ~ t:"' >< m t'l ~ :>= > t:"' t:"' 0 () () (/) zt'l ~ :>= OJ 0 3: (') to co 0 uv MS IR -- -CH 2 - y -cH 3 o as -cH 2 - o -CH 3 o sy ;cH st Rearrangements Fragments ~on I ~olecular I l -1 770-720 cm-l ~1380 cm-l 'vl460 em 14n local maxima at 14n + 1, intensity variations smooth, minimum at Mt- 15 local maxima at 14n+l, intensity distribution irregular, relative maxima due to fragmentation at branching points with charge retention at most substituted C.

6) (2-3 5ch) R-5-5-R n+o* n+o* (3-4) (2. 6) • R-Br n-+o* (2. -- n-+Tr* (1. -- n+rr* (1. _o RN_,2 R A A~ A 0 A £) n+n* (1. 4) A A~A A A +itl-7 ro n+n* (4. 2-4. -- n+n* (1. 7) OfOjQ ~ a) (4-5) n+o* (2. 0) 3) R-NO (1. ~a) " ~~~~ -+ 11* (conjug. -::~::: ---~-- n + n* ---~-- ~,1[ -+ 11* (conjug. Systems)~~~~~---:_: ---"'~-- n + n*' ---~--- -~n -" I -+ o*{:: o* 200 a) 400 600 nm longest wavelength absorption maximum B70 tJ:! 2 ppm 5-60 ppm Range found outside of the quoted range if present in three-membered rings and coupling constants cycloalkanes: chemical shifts coupling constants reference data, alkanes: chemical shifts found outside of the quoted range if present in three-membered rings or based on relaxation times by partial ("off resonance") uncoupled spectra -CH 3 , -cH 2 -, )CH- and ~C~ can be differentiated cycloalkanes reference data: alkanes Comments Characteristic Spectroscopic Data for Alkanes and Saturated Alicyclics Hl85 H20 HS cso cs Details see page: I I ~ t:"' >< m t'l ~ :>= > t:"' t:"' 0 () () (/) zt'l ~ :>= OJ 0 3: (') to co 0 uv MS IR -- -CH 2 - y -cH 3 o as -cH 2 - o -CH 3 o sy ;cH st Rearrangements Fragments ~on I ~olecular I l -1 770-720 cm-l ~1380 cm-l 'vl460 em 14n local maxima at 14n + 1, intensity variations smooth, minimum at Mt- 15 local maxima at 14n+l, intensity distribution irregular, relative maxima due to fragmentation at branching points with charge retention at most substituted C.

0 ppm H-(S-arc) --~ ern -1 1. 0 ppm 120-140 ppm 5-60 ppm Range H- (S-ale) arc- (S) c- (s) Assignment Cl20,Cl30 Cl79,Cl80 aromatic frequently weak reference data H255 aromatic I215 HlOO,Hl95 H215 cyclic olefinic reference data, additivity rules: aliphatic couplings: H95 Hl5,H95 C90 olefinic no appreciable shift relative to C-(C) C70 ClO,C45 Cl79,Cl80 Details see page: alicyclic reference data, additivity rules: aliphatic Comments Characteristic Spectroscopic Data of Thiols and Thioethers ~() Ul t'l ::0 1-3 ::0 t'l 0 H ::0 ,_,m f;;S: tjQ 0 ......

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