Tetrazole(288-94-8) IR2
Molecular FormulaCH2N4
Molecular Weight70.05
InChIInChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
InChIKey KJUGUADJHNHALS-UHFFFAOYSA-N
SmilesN1=CN=NN1
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MassMS-NW-9513 1H-tetrazole CH2N4 (Mass of molecular ion: 70)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
12.0 6.5 13.0 28.6 14.0 20.2 15.0 8.3 16.0 1.5 17.0 4.5 18.0 23.4 21.0 2.0 26.0 9.7 27.0 50.7 28.0 86.8 29.0 34.3 40.0 2.2 41.0 16.7 42.0 100.0 43.0 40.4 44.0 1.6 70.0 36.8 71.0 16.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C H2 N4 0.042 g : 0.5 ml DMSO-d6 1H-tetrazole 
Assign. Shift(ppm)
A 9.449
Hz ppm Int.3776.37 9.450 1000 3770.51 9.435 25
D2O
in DMSO-d6
KBr disc
nujol mull
