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1-METHYL-3-CARBOXY-4-NITRO-PYRAZOLE
SpectraBase Compound ID JoNzWYAr6uo
InChI InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(6-7)5(9)10/h2H,1H3,(H,9,10)
InChIKey OMMBYRSUPXNTEK-UHFFFAOYSA-N
Mol Weight 171.11 g/mol
Molecular Formula C5H5N3O4
Exact Mass 171.028006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSYbtb2Ex3x
Name 1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid
Alternate Name(s) 1H-Pyrazole-3-carboxylic acid, 1-methyl-4-nitro-
CAS Registry Number 4598-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N3O4
InChI InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(6-7)5(9)10/h2H,1H3,(H,9,10)
InChIKey OMMBYRSUPXNTEK-UHFFFAOYSA-N
Molecular Weight 171.112 g/mol
SMILES OC(c1c(N(=O)=O)c[n](C)n1)=O
SPLASH splash10-0006-9200000000-ee9bbda54e6d81da9699
Source of Spectrum AD-0-2532-0
Wiley ID 1433913