Carzenide(138-41-0) MS
Molecular FormulaC7H7NO4S
Molecular Weight201.2
InChIInChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChIKey UCAGLBKTLXCODC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(S(N)(=O)=O)C=C1
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MassMS-NW-9978 p-sulfamoylbenzoic acid C7H7NO4S (Mass of molecular ion: 201)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.4 18.0 7.6 27.0 2.0 28.0 3.5 38.0 2.6 39.0 14.9 41.0 1.1 44.0 1.4 45.0 3.0 48.0 1.0 50.0 18.4 51.0 12.4 52.0 1.9 53.0 3.6 54.5 1.1 62.0 1.5 63.0 4.7 64.0 9.7 65.0 81.8 66.0 5.9 69.0 1.1 73.0 1.4 74.0 8.4 75.0 17.0 76.0 13.7 77.0 3.9 80.0 1.2 81.0 1.7 89.0 1.2 90.0 1.3 91.0 20.5 92.0 5.9 93.0 15.5 94.0 1.2 103.0 6.2 104.0 3.8 105.0 1.4 106.0 1.2 107.0 4.6 108.0 4.3 109.0 2.3 110.0 1.8 119.0 2.2 120.0 11.7 121.0 100.0 122.0 8.2 137.0 65.0 138.0 33.0 139.0 4.2 155.0 6.9 156.0 1.4 171.0 9.3 184.0 3.7 185.0 32.6 186.0 3.1 187.0 1.8 201.0 69.8 202.0 6.5 203.0 4.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H7 N O4 S 0.037 g : 0.5 ml DMSO-d6 p-sulfamoylbenzoic acid 
Assign. Shift(ppm)
A 13.4 B 8.140 C 7.968 D 7.57
Hz ppm Int.3258.04 8.153 728 3256.12 8.148 371 3251.20 8.136 318 3249.28 8.131 997 3188.59 7.979 916 3186.67 7.974 407 3181.76 7.962 282 3179.83 7.957 794 3174.92 7.945 29 3024.27 7.568 1000
in DMSO-d6
KBr disc
nujol mull
