By P. D. Dr. Ernö Pretsch, Professor Dr. Thomas Clerc, Professor Dr. Joseph Seibl, Professor Dr. Wilhelm Simon (auth.)
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Example text
R ~r. • ; Mt-18, Mt-33, Mt-46 primary alcohols: m/z 31 > m/z 45 ~ m/z 59 secondary and tertiary alcohols: local maxima due to a-cleavage : R-CH-R -R· R-CH II I~ +OH toH aromatic: abundant uao,uas Ml25 Mll5,Ml20 aliphatic: low abundance, often missing for pri- IM220 mary or highly branched alcohols; peaks at highest mass are then often due to Mt-18 or Mt-ls reference data band position and shape depends on degree of association strong &;OJ ~3: "'n liJO (/) t:"' 0 :I: 0 ~ ('l til lJ1 1 C-NMR H-NMR 13 1-' ....
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.
R2 [R 1 -s-CH 2 -R 2 ]· - sulfur peaks: m/z = 4 7, 61 sulfide cleavage: + --·-·- U95,Ul05 U70,U75 Ml20 Ml30 M60 34 s-isotope peak; at Mt + 2 ~ 4,5% indications for sulfur M245 stronger than for alcohols or ethers 1:5 ~ gj 0 ttJ s: ~ () ::r: 1-3 rn t"' 0 H 1-3 ::r: tt1 1-' CX> Vl 1 H-NMR C-NMR 13 j 13c-c~~ : 20-50 Hz, . 0 -c,H Assignment Characteristic Spectroscopic Data of Aldehydes ~0 ~s: ~ OJ Ul E::() 0 \0 ..... Ill uv MS IR n ... n* Rearrangements Fragments 270-310 nm (log e::