產(chǎn)品名稱(chēng):2-巰基-5-甲氧基苯并噻唑
CAS:55690-60-3
分子式:C8H7NOS2
分子量: 197.28
InChI:InChI=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
Smiles:S1C2=CC=C(OC)C=C2NC1=S
Mass
MS-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
1H NMR | 399.65 MHz |
C8 H7 N O S2 | 0.038 g : 0.5 ml DMSO-d6 |
5-methoxy-2-benzothiazolethiol |
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Assign. Shift(ppm) |
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
2-巰基-5-甲氧基苯并噻唑(55690-60-3)紅外圖譜(IR1)相關(guān)產(chǎn)品圖譜