3-Methyl-4-(methylthio)phenol(3120-74-9) MS
Product Name3-Methyl-4-(methylthio)phenol
CAS3120-74-9
Molecular FormulaC8H10OS
Molecular Weight154.23
InChIInChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
InChIKey VKALYYFVKBXHTF-UHFFFAOYSA-N
SmilesC1(O)=CC=C(SC)C(C)=C1
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MassMS-NW-3348 4-methylthio-m-cresol C8H10OS (Mass of molecular ion: 154)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.0 27.0 2.2 38.0 1.3 39.0 5.5 41.0 1.2 45.0 32.8 47.0 1.8 50.0 1.9 51.0 5.1 52.0 2.1 53.0 2.7 55.0 2.6 59.0 1.0 62.0 1.1 63.0 2.2 65.0 3.3 66.0 1.8 67.0 2.2 69.0 3.5 70.0 1.7 71.0 1.5 77.0 13.5 78.0 4.7 79.0 2.0 85.0 1.3 91.0 1.8 94.0 1.5 95.0 16.4 96.0 1.1 105.0 1.2 107.0 8.0 108.0 1.7 109.0 3.3 110.0 2.3 111.0 4.0 121.0 1.8 125.0 1.1 137.0 2.8 138.0 1.3 139.0 48.4 140.0 4.4 141.0 2.6 153.0 4.2 154.0 100.0 155.0 10.0 156.0 5.1 168.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O S 0.049 g : 0.5 ml CDCl3 4-methylthio-m-cresol 
Assign. Shift(ppm)
A 7.13 B 6.68 C 6.66 D 5.11 E 2.368 F 2.32
Hz ppm Int.643.44 7.185 50 640.38 7.151 22 634.31 7.083 75 601.31 6.715 24 599.06 6.689 137 598.44 6.683 168 597.75 6.675 116 597.00 6.666 65 596.25 6.658 71 595.56 6.650 67 594.88 6.643 36 592.44 6.616 51 591.88 6.609 51 213.50 2.384 88 212.06 2.368 1000 210.19 2.347 118 207.75 2.320 446
in CDCl3
KBr disc
nujol mull
