(4-Methylthio)toluene(623-13-2) MS
Product Name(4-Methylthio)toluene
CAS623-13-2
Molecular FormulaC8H10S
Molecular Weight138.23
InChIInChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey VHILIAIEEYLJNA-UHFFFAOYSA-N
SmilesC1(C)=CC=C(SC)C=C1
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MassMS-NW-7790 methyl p-tolyl sulfide C8H10S (Mass of molecular ion: 138)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.6 27.0 2.2 38.0 1.7 39.0 10.3 41.0 1.5 45.0 22.4 46.0 1.2 47.0 1.5 50.0 3.1 51.0 5.2 52.0 1.6 53.0 2.0 61.0 1.0 62.0 2.3 63.0 6.1 64.0 1.3 65.0 7.6 69.0 4.4 70.0 1.3 71.0 1.4 77.0 8.8 78.0 4.5 79.0 11.6 82.0 1.1 89.0 3.5 90.0 1.2 91.0 53.7 92.0 10.2 93.0 1.6 95.0 1.0 97.0 1.9 105.0 4.8 108.0 1.8 121.0 6.1 122.0 4.1 123.0 27.3 124.0 2.6 125.0 1.2 137.0 11.7 138.0 100.0 139.0 10.4 140.0 5.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 S 0.05 ml : 0.5 ml CDCl3 methyl p-tolyl sulfide 
Assign. Shift(ppm)
A *1 7.13 B *1 7.07 C 2.408 D 2.274
Hz ppm Int.646.25 7.216 62 643.69 7.188 44 640.31 7.150 92 637.63 7.120 425 634.75 7.088 356 628.75 7.021 57 628.25 7.015 58 626.19 6.992 71 215.75 2.410 1000 203.75 2.276 689
in CDCl3
liquid film
