N-(P-TOLUENESULFONYL)-3-PYRROLINE(16851-72-2) 1H NMR
Product NameN-(P-TOLUENESULFONYL)-3-PYRROLINE
CAS16851-72-2
Molecular FormulaC11H13NO2S
Molecular Weight223.29
InChIInChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3
InChIKey UNYMIBRUQCUASP-UHFFFAOYSA-N
SmilesN1(S(C2=CC=C(C)C=C2)(=O)=O)CC=CC1
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MassMS-IW-9069 1-(p-tolylsulfonyl)-3-pyrroline C11H13NO2S (Mass of molecular ion: 223)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 1.0 28.0 3.1 39.0 11.3 40.0 2.2 41.0 19.9 42.0 2.3 50.0 1.1 51.0 2.3 63.0 3.5 64.0 1.1 65.0 15.6 66.0 1.1 67.0 7.6 68.0 100.0 69.0 5.0 77.0 1.2 89.0 3.5 90.0 2.1 91.0 72.6 92.0 14.3 93.0 1.0 107.0 1.4 108.0 1.3 139.0 2.5 155.0 31.0 156.0 3.4 157.0 1.9 158.0 1.8 222.0 8.9 223.0 31.4 224.0 4.8 225.0 1.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H13 N O2 S 0.036 g : 0.5 ml DMSO-d6 1-(p-tolylsulfonyl)-3-pyrroline 
Assign. Shift(ppm)
A 7.715 B 7.435 C 5.710 D 4.015 E 2.393
Hz ppm Int.3089.97 7.732 39 3088.01 7.727 240 3086.43 7.723 89 3081.54 7.711 94 3079.83 7.707 291 3077.88 7.702 51 2975.59 7.446 215 2967.65 7.426 186 2967.04 7.425 180 2286.50 5.722 40 2282.23 5.711 460 2277.71 5.700 39 1609.01 4.027 57 1604.74 4.016 1000 1600.34 4.005 54 956.67 2.394 706
in DMSO-d6
KBr disc
nujol mull
