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(4H-[1,2,4]Triazol-3-yl)acetonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4H-[1,2,4]Triazol-3-yl)acetonitrile
SpectraBase Compound ID 1RiaOy4pzKy
InChI InChI=1S/C4H4N4/c5-2-1-4-6-3-7-8-4/h3H,1H2,(H,6,7,8)
InChIKey MOTRJRQYFMTRNY-UHFFFAOYSA-N
Mol Weight 108.1 g/mol
Molecular Formula C4H4N4
Exact Mass 108.043596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SwAKCvHKGX
Name (4H-[1,2,4]Triazol-3-yl)acetonitrile
Alternate Name(s) 2-(1H-1,2,4-triazol-5-yl)acetonitrile 2-(1H-1,2,4-triazol-5-yl)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4N4
InChI InChI=1S/C4H4N4/c5-2-1-4-6-3-7-8-4/h3H,1H2,(H,6,7,8)
InChIKey MOTRJRQYFMTRNY-UHFFFAOYSA-N
Molecular Weight 108.104 g/mol
SMILES [nH]1c(nnc1)CC#N
SPLASH splash10-0pc3-9300000000-9e98266786b91ab17345
Source of Spectrum AD-0-2532-0
Wiley ID 1435928