2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3) 1H NMR
Product Name2-MERCAPTO-5-METHOXYBENZOTHIAZOLE
CAS55690-60-3
Molecular FormulaC8H7NOS2
Molecular Weight197.28
InChIInChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)
InChIKey JDPITNFDYXOKRM-UHFFFAOYSA-N
SmilesS1C2=CC=C(OC)C=C2NC1=S
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MassMS-IW-9550 5-methoxy-2-benzothiazolethiol C8H7NOS2 (Mass of molecular ion: 197)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.0 28.0 1.0 38.0 1.3 39.0 2.3 45.0 8.9 50.0 1.6 51.0 3.8 52.0 1.3 53.0 1.0 61.0 1.1 62.0 2.4 63.0 5.4 64.0 1.1 68.0 1.0 69.0 10.4 70.0 4.0 71.0 1.6 76.0 1.0 77.0 1.2 78.0 3.6 79.0 1.5 82.0 1.4 83.0 1.8 93.0 1.7 94.0 1.0 95.0 11.4 96.0 4.1 97.0 1.0 98.0 1.3 98.5 5.5 102.0 1.0 108.0 1.3 109.0 2.6 110.0 4.7 121.0 1.1 122.0 2.6 123.0 6.6 124.0 1.2 127.0 3.9 133.0 4.2 134.0 1.0 135.0 1.1 138.0 2.0 139.0 1.5 150.0 1.2 151.0 1.5 152.0 1.7 153.0 1.5 154.0 27.1 155.0 3.3 156.0 2.6 164.0 1.1 165.0 2.7 166.0 2.0 167.0 1.9 168.0 1.7 178.0 1.0 181.0 1.6 182.0 39.3 183.0 3.8 184.0 3.9 196.0 4.4 197.0 100.0 198.0 11.5 199.0 10.0 200.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H7 N O S2 0.038 g : 0.5 ml DMSO-d6 5-methoxy-2-benzothiazolethiol 
Assign. Shift(ppm)
A 7.568 B 6.928 C 6.837 D 3.803 E 3.7
Hz ppm Int.3029.17 7.580 187 3020.39 7.558 197 2774.54 6.943 107 2771.97 6.936 115 2765.75 6.921 98 2763.31 6.915 109 2733.52 6.840 180 2731.08 6.834 157 1520.14 3.804 1000
in DMSO-d6
KBr disk
nujol mull
