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1H-1,2,4-Triazole-1-propanoic acid, 5-methyl-3-nitro-
SpectraBase Compound ID 2ai5WVr0L6G
InChI InChI=1S/C6H8N4O4/c1-4-7-6(10(13)14)8-9(4)3-2-5(11)12/h2-3H2,1H3,(H,11,12)
InChIKey JMSXBPSAUWKGRO-UHFFFAOYSA-N
Mol Weight 200.15 g/mol
Molecular Formula C6H8N4O4
Exact Mass 200.054555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Sdfcfd26Vg
Name 1H-1,2,4-Triazole-1-propanoic acid, 5-methyl-3-nitro-
Alternate Name(s) 3-(5-Methyl-3-nitro-1,2,4-triazol-1-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8N4O4
InChI InChI=1S/C6H8N4O4/c1-4-7-6(10(13)14)8-9(4)3-2-5(11)12/h2-3H2,1H3,(H,11,12)
InChIKey JMSXBPSAUWKGRO-UHFFFAOYSA-N
Molecular Weight 200.154 g/mol
SMILES OC(CC[n]1nc(nc1C)N(=O)=O)=O
SPLASH splash10-0006-9100000000-6dc73446ea6305b68a0f
Source of Spectrum IY-1-4538-4
Wiley ID 1653367