2-METHOXYBENZENETHIOL(7217-59-6) 13C NMR
Product Name2-METHOXYBENZENETHIOL
CAS7217-59-6
Molecular FormulaC7H8OS
Molecular Weight140.2
InChIInChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey DSCJETUEDFKYGN-UHFFFAOYSA-N
SmilesC1(S)=CC=CC=C1OC
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MassMS-NW-5637 o-methoxybenzenethiol C7H8OS (Mass of molecular ion: 140)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.5 27.0 1.2 28.0 1.5 37.0 1.1 38.0 2.2 39.0 5.8 45.0 11.0 47.0 1.2 50.0 2.5 51.0 4.0 52.0 1.8 53.0 8.5 58.0 1.2 62.0 1.6 63.0 3.9 64.0 1.8 65.0 8.5 66.0 1.9 67.0 1.0 69.0 8.1 70.0 4.7 71.0 2.3 77.0 5.4 78.0 1.9 79.0 1.2 81.0 1.1 82.0 1.5 92.0 1.5 93.0 2.4 94.0 1.3 95.0 3.3 96.0 4.2 97.0 37.0 98.0 2.9 99.0 1.7 107.0 1.2 108.0 2.5 109.0 7.6 110.0 2.1 111.0 4.1 125.0 54.8 126.0 4.4 127.0 2.8 137.0 1.1 139.0 1.8 140.0 100.0 141.0 8.8 142.0 5.3 246.0 1.0 278.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 O S 0.04 ml : 0.5 ml CDCl3 o-methoxybenzenethiol 
Assign. Shift(ppm)
A 7.11 B 7.22 C 6.83 D 6.82 E 3.860 F 3.79
Hz ppm Int.653.19 7.294 54 651.31 7.273 69 650.88 7.268 67 645.38 7.207 101 643.94 7.191 121 643.56 7.186 124 637.75 7.121 95 635.19 7.093 49 630.13 7.036 104 628.19 7.015 75 619.56 6.918 38 618.00 6.901 110 615.06 6.868 83 613.69 6.853 85 611.69 6.830 96 610.31 6.815 44 607.13 6.780 42 605.69 6.763 38 604.56 6.751 34 603.06 6.734 30 345.69 3.860 1000 339.75 3.794 339
in CDCl3
liquid film
