3-Methylphenyl isothiocyanate(621-30-7) 13C NMR
Molecular FormulaC8H7NS
Molecular Weight149.21
InChIInChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey BDPQUWSFKCFOST-UHFFFAOYSA-N
SmilesC1(N=C=S)=CC=CC(C)=C1
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![](https://www.chemicalbook.com/Spectrum/621-30-7_MS.gif)
Mass
MS-IW-7197
m-tolyl isothiocyanate
C8H7NS (Mass of molecular ion: 149)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
27.0 1.0
38.0 1.6
39.0 8.7
41.0 1.8
45.0 1.8
50.0 3.0
51.0 4.5
52.0 1.3
61.0 1.3
61.5 1.3
62.0 2.4
63.0 6.9
64.0 2.7
65.0 16.4
66.0 1.1
70.0 1.0
74.0 1.2
74.5 4.3
75.0 1.7
76.0 1.2
77.0 2.3
78.0 1.4
89.0 7.1
90.0 4.6
91.0 50.1
92.0 3.9
104.0 2.6
116.0 4.3
117.0 7.2
121.0 4.6
122.0 1.5
148.0 19.3
149.0 100.0
150.0 10.6
151.0 4.9