N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide
Product Name N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide
CAS14070-48-5
MFC9H9N5OS
MW235.27
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MassMS-IW-8163 3'-(5-mercapto-1H-tetrazol-1-yl)acetanilide C9H9N5OS (Mass of molecular ion: 235)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 2.2 27.0 3.5 28.0 23.7 29.0 1.0 32.0 2.0 34.0 1.7 38.0 1.8 39.0 3.9 40.0 1.3 41.0 2.6 42.0 3.0 43.0 52.6 44.0 1.9 50.0 1.9 51.0 3.2 52.0 3.0 53.0 1.9 62.0 1.4 63.0 5.4 64.0 25.2 65.0 9.3 66.0 2.7 75.0 1.7 76.0 1.9 77.0 1.8 78.0 2.7 79.0 3.9 80.0 4.0 90.0 5.2 91.0 5.4 92.0 11.6 93.0 1.9 96.0 1.5 102.0 2.3 105.0 7.8 106.0 25.3 107.0 2.9 108.0 1.4 116.0 2.5 117.0 1.3 118.0 6.5 119.0 1.0 122.0 2.1 123.0 2.9 132.0 2.4 133.0 100.0 134.0 12.1 135.0 1.0 142.0 2.8 149.0 1.2 150.0 75.7 151.0 7.0 152.0 3.7 157.0 1.1 158.0 1.0 160.0 1.3 165.0 6.1 174.0 3.8 175.0 36.7 176.0 5.5 192.0 39.9 193.0 5.5 194.0 2.2 207.0 2.7 211.0 1.5 235.0 4.9 257.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H9 N5 O S 0.038 g : 0.5 ml DMSO-d6 3'-(5-mercapto-1H-tetrazol-1-yl)acetanilide 
Assign. Shift(ppm)
A 10.3 B 8.212 C 7.719 D 7.584 E 7.541 F 2.100
Hz ppm Int.4113.77 10.294 102 3284.00 8.218 81 3282.17 8.213 141 3280.18 8.208 86 3090.21 7.733 43 3088.99 7.730 61 3087.01 7.725 50 3082.28 7.713 55 3080.60 7.709 75 3079.22 7.705 59 3038.33 7.603 34 3036.96 7.600 51 3036.35 7.598 45 3034.97 7.595 44 3030.24 7.583 89 3028.26 7.578 114 3026.89 7.574 82 3020.02 7.557 121 3012.08 7.537 140 3004.00 7.517 50 839.54 2.101 1000
in DMSO-d6
KBr disc
nujol mull
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