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1-ACETYL-1H-1,2,4-TRIAZOLE

View entire compound with spectra: 6 NMR, and 3 MS (GC)

1-ACETYL-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 3tkdObxUtdQ
InChI InChI=1S/C4H5N3O/c1-4(8)7-3-5-2-6-7/h2-3H,1H3
InChIKey GLGDTYAVPSJOSQ-UHFFFAOYSA-N
Mol Weight 111.1 g/mol
Molecular Formula C4H5N3O
Exact Mass 111.043262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UXGbcshPyr
Name 1H-1,2,4-Triazole, 1-acetyl-
CAS Registry Number 15625-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3O
InChI InChI=1S/C4H5N3O/c1-4(8)7-3-5-2-6-7/h2-3H,1H3
InChIKey GLGDTYAVPSJOSQ-UHFFFAOYSA-N
Molecular Weight 111.104 g/mol
SMILES c1nc[n](n1)C(=O)C
SPLASH splash10-0006-9100000000-7eb5a6a3fe039e8a17c3
Source of Spectrum H-63-596-1
Synonyms 1-Acetyl-1H-1,2,4-triazole 1-(1,2,4-triazol-1-yl)ethanone 1-Acetyl-1,2,4-triazole
Wiley ID 1122755