1H-Tetrazole-1-acetic acid(21732-17-2) IR2
Product Name1H-Tetrazole-1-acetic acid
CAS21732-17-2
Molecular FormulaC3H4N4O2
Molecular Weight128.09
InChIInChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
InChIKey GRWAIJBHBCCLGS-UHFFFAOYSA-N
SmilesN1(CC(O)=O)C=NN=N1
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MassMS-IW-4911 (1H-tetrazol-1-yl)acetic acid C3H4N4O2 (Mass of molecular ion: 128)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
13.0 3.1 14.0 3.4 15.0 1.2 18.0 3.5 26.0 1.5 27.0 9.6 28.0 72.1 29.0 13.2 30.0 1.0 31.0 9.9 40.0 1.7 41.0 8.2 42.0 9.8 43.0 4.0 44.0 12.3 45.0 29.8 53.0 3.0 54.0 3.6 55.0 100.0 56.0 6.2 58.0 2.6 59.0 10.8 69.0 1.6 72.0 3.3 83.0 25.9 84.0 1.7 86.0 2.6 100.0 6.4 128.0 4.3 129.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H4 N4 O2 0.038 g : 0.5 ml DMSO-d6 (1H-tetrazol-1-yl)acetic acid 
Assign. Shift(ppm)
A 13.7 B 9.390 C 5.444
Hz ppm Int.3753.15 9.392 572 2175.94 5.445 1000
in DMSO-d6
KBr disc
nujol mull
