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Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
SpectraBase Compound ID HgwemSYYp1y
InChI InChI=1S/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3
InChIKey XBISXCYXLGZZFH-UHFFFAOYSA-N
Mol Weight 186.13 g/mol
Molecular Formula C5H6N4O4
Exact Mass 186.038905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOluTVKyTWz
Name Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
CAS Registry Number 70965-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N4O4
InChI InChI=1S/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3
InChIKey XBISXCYXLGZZFH-UHFFFAOYSA-N
Molecular Weight 186.127 g/mol
SMILES c1(nc[n](n1)CC(=O)OC)N(=O)=O
SPLASH splash10-0pbj-9300000000-585c6f63d8b9a19f26ee
Synonyms (3-Nitro-[1,2,4]triazol-1-yl)-acetic acid methyl ester 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid methyl ester Methyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate Methyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate
Wiley ID 1454610