Acetazolamide(59-66-5) IR2
Product NameAcetazolamide
CAS59-66-5
Molecular FormulaC4H6N4O3S2
Molecular Weight222.25
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChIKey BZKPWHYZMXOIDC-UHFFFAOYSA-N
SmilesC(NC1=NN=C(S(N)(=O)=O)S1)(=O)C
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MassMS-NW-9996 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide C4H6N4O3S2 (Mass of molecular ion: 222)
Source Temperature: 210 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 5.4 17.0 2.6 18.0 13.2 27.0 1.3 28.0 4.4 29.0 1.0 30.0 1.3 32.0 2.6 36.0 1.1 41.0 3.0 42.0 5.4 43.0 100.0 44.0 3.9 45.0 4.7 46.0 1.7 48.0 2.9 55.0 2.8 56.0 1.5 57.0 4.1 58.0 1.5 59.0 5.6 60.0 2.1 64.0 6.0 69.0 2.3 70.0 1.6 71.0 2.1 72.0 1.3 73.0 1.9 74.0 2.8 80.0 4.1 83.0 2.1 85.0 1.2 88.0 1.9 97.0 1.7 99.0 3.6 100.0 7.4 101.0 1.2 114.0 1.2 116.0 4.0 180.0 55.4 181.0 4.3 182.0 5.4 194.0 9.9 196.0 1.0 222.0 12.2 223.0 1.9 224.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H6 N4 O3 S2 0.035 g : 0.5 ml DMSO-d6 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide 
Assign. Shift(ppm)
A 13.0 B 8.34 C 2.254
Hz ppm Int.3333.26 8.341 106 900.89 2.255 1000
in DMSO-d6
KBr disc
nujol mull
