4-(Methylthio)benzyl alcohol(3446-90-0) IR1
Product Name4-(Methylthio)benzyl alcohol
CAS3446-90-0
Molecular FormulaC8H10OS
Molecular Weight154.23
InChIInChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKey MTXQKSQYMREAGJ-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(SC)C=C1
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MassMS-IW-0096 p-(methylthio)benzyl alcohol C8H10OS (Mass of molecular ion: 154)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 27.0 1.4 29.0 1.3 31.0 1.3 38.0 1.0 39.0 4.6 41.0 1.0 45.0 10.9 47.0 1.6 50.0 4.0 51.0 7.7 52.0 1.7 53.0 1.6 58.0 1.4 62.0 1.7 63.0 4.2 65.0 4.6 66.0 3.1 67.0 1.9 69.0 4.9 71.0 1.4 74.0 1.7 75.0 2.9 76.0 2.0 77.0 24.5 78.0 10.2 79.0 34.5 80.0 2.4 82.0 1.9 84.0 1.0 89.0 2.5 91.0 5.1 95.0 1.1 105.0 3.8 106.0 1.0 107.0 35.0 108.0 5.6 109.0 24.3 110.0 10.9 111.0 4.7 121.0 5.3 122.0 10.1 123.0 5.6 124.0 2.1 125.0 20.1 126.0 2.1 127.0 1.0 135.0 2.0 136.0 1.0 137.0 29.4 138.0 4.6 139.0 5.7 151.0 9.3 152.0 7.6 153.0 20.5 154.0 100.0 155.0 10.6 156.0 5.3 168.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O S 0.033 g : 0.5 ml CDCl3 p-(methylthio)benzyl alcohol 
Assign. Shift(ppm)
A *1 7.245 B *1 7.229 C 4.591 D 2.464 E 2.20
Hz ppm Int.2902.71 7.264 49 2900.51 7.258 54 2896.73 7.249 47 2894.17 7.242 332 2891.11 7.235 397 2888.43 7.228 65 2885.01 7.219 33 2883.30 7.215 44 2882.45 7.213 60 1835.08 4.592 249 984.86 2.465 1000 878.66 2.199 39
in CDCl3
KBr disc
nujol mull
