2-[(4-Methylphenyl)sulfonyl]ethanol(22381-54-0) 1H NMR
Product Name2-[(4-Methylphenyl)sulfonyl]ethanol
CAS22381-54-0
Molecular FormulaC9H12O3S
Molecular Weight200.25
InChIInChI=1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3
InChIKey QJFIXBNLKARINT-UHFFFAOYSA-N
SmilesC(O)CS(C1=CC=C(C)C=C1)(=O)=O
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MassMS-IW-8982 2-tosylethanol C9H12O3S (Mass of molecular ion: 200)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 2.1 18.0 11.4 19.0 1.5 27.0 4.4 28.0 2.5 29.0 1.4 39.0 8.9 41.0 3.0 43.0 2.5 44.0 1.1 45.0 13.4 50.0 1.9 51.0 4.0 52.0 1.1 62.0 1.6 63.0 6.4 64.0 1.8 65.0 24.6 66.0 1.5 67.0 1.0 77.0 5.6 78.0 1.5 79.0 5.4 80.0 1.5 89.0 6.5 90.0 3.5 91.0 100.0 92.0 69.0 93.0 6.7 105.0 1.8 107.0 17.5 108.0 9.6 111.0 1.0 117.0 1.0 118.0 1.7 135.0 2.2 139.0 24.4 140.0 2.6 141.0 1.2 155.0 16.0 156.0 6.4 157.0 9.8 158.0 1.0 170.0 1.3 172.0 14.2 173.0 1.4 182.0 8.8 183.0 1.1 200.0 13.0 201.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 O3 S 0.041 g : 0.5 ml CDCl3 2-tosylethanol 
Assign. Shift(ppm)
A 7.807 B 7.383 C 3.973 D 3.343 E 2.458
Hz ppm Int.3126.34 7.823 65 3124.51 7.819 357 3122.68 7.814 123 3117.92 7.802 138 3116.21 7.798 395 3114.26 7.793 63 2956.91 7.399 58 2954.96 7.394 276 2954.35 7.393 311 2952.39 7.388 94 2948.36 7.378 101 2946.41 7.373 286 2945.80 7.371 241 2943.85 7.367 42 1593.63 3.988 333 1590.70 3.981 83 1588.87 3.976 244 1588.13 3.974 350 1587.16 3.972 213 1585.33 3.967 80 1582.52 3.960 359 1341.43 3.357 343 1338.75 3.350 82 1336.79 3.345 215 1335.82 3.343 342 1335.08 3.341 227 1333.25 3.337 76 1330.32 3.329 313 982.42 2.459 1000
in CDCl3
KBr disc
nujol mull
