2-(METHYLTHIO)ANILINE(2987-53-3) Raman
Product Name2-(METHYLTHIO)ANILINE
CAS2987-53-3
Molecular FormulaC7H9NS
Molecular Weight139.22
InChIInChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKey WBRPQQSADOCKCH-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1SC
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MassMS-IW-7539 o-(methylthio)aniline C7H9NS (Mass of molecular ion: 139)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 2.4 38.0 1.5 39.0 5.0 41.0 1.0 45.0 4.6 50.0 1.0 51.0 1.8 52.0 3.0 53.0 4.5 54.0 1.1 61.5 1.6 62.0 1.4 63.0 3.8 64.0 2.3 65.0 7.1 66.0 2.5 67.0 1.2 69.0 2.8 69.5 3.2 70.0 1.8 77.0 2.4 78.0 1.5 80.0 40.8 81.0 2.6 90.0 1.2 91.0 2.8 92.0 1.9 93.0 4.4 94.0 5.4 95.0 1.4 96.0 2.7 97.0 8.8 106.0 9.2 108.0 1.6 109.0 1.1 122.0 1.0 124.0 94.6 125.0 7.5 126.0 4.6 135.0 2.6 139.0 100.0 140.0 9.3 141.0 4.9 149.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H9 N S 0.05 ml : 0.5 ml CDCl3 o-(methylthio)aniline 
Assign. Shift(ppm)
A 7.318 B 7.046 C 6.68 D 6.64 E 4.15 F 2.297
Hz ppm Int.2929.81 7.331 89 2929.44 7.331 88 2928.22 7.327 95 2922.12 7.312 96 2921.75 7.311 96 2920.53 7.308 102 2824.71 7.068 67 2823.24 7.065 68 2817.38 7.050 89 2816.77 7.049 93 2815.80 7.046 88 2815.31 7.045 85 2809.45 7.030 88 2807.86 7.026 82 2677.73 6.701 69 2676.39 6.697 82 2670.41 6.682 92 2669.07 6.679 110 2662.72 6.663 68 2661.38 6.660 105 2661.01 6.659 120 2660.52 6.658 120 2659.67 6.655 100 2652.95 6.639 101 2652.59 6.638 105 2651.61 6.635 96 2651.25 6.634 87 1659.42 4.153 31 918.21 2.298 1000
in CDCl3
liquid film
