3-Methoxybenzenethiol(15570-12-4) IR1
Product Name3-Methoxybenzenethiol
CAS15570-12-4
Molecular FormulaC7H8OS
Molecular Weight140.2
InChIInChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChIKey QMVAZEHZOPDGHA-UHFFFAOYSA-N
SmilesC1(S)=CC=CC(OC)=C1
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MassMS-IW-8199 m-methoxybenzenethiol C7H8OS (Mass of molecular ion: 140)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
38.0 1.3 39.0 2.9 45.0 4.9 50.0 1.4 51.0 1.6 53.0 5.1 58.0 1.0 62.0 1.3 63.0 3.7 64.0 2.1 65.0 3.5 66.0 6.8 67.0 1.1 69.0 4.9 70.0 4.0 71.0 1.7 77.0 5.7 78.0 1.4 79.0 2.2 81.0 1.7 82.0 1.1 84.0 2.8 92.0 2.0 94.0 1.3 95.0 7.2 96.0 9.8 97.0 15.7 98.0 1.2 107.0 1.6 108.0 1.9 109.0 5.6 110.0 9.0 111.0 4.9 124.0 4.9 125.0 38.7 126.0 3.2 127.0 1.8 139.0 6.6 140.0 100.0 141.0 9.1 142.0 5.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 O S 0.04 ml : 0.5 ml CDCl3 m-methoxybenzenethiol 
Assign. Shift(ppm)
A 7.109 B 6.83 C 6.80 D 6.688 E 3.755 F 3.445
Hz ppm Int.646.69 7.221 44 638.69 7.132 121 630.56 7.041 112 615.31 6.871 57 614.19 6.858 69 612.00 6.834 47 610.13 6.813 71 609.56 6.807 86 607.75 6.786 136 603.63 6.740 58 602.56 6.729 50 601.19 6.713 35 595.69 6.652 33 594.38 6.637 31 336.38 3.756 1000 308.56 3.446 238
in CDCl3
liquid film
