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Methyl 3-nitro-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzoate
SpectraBase Compound ID JDZRnoH2n0m
InChI InChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-9-4-3-8(12(17)20-2)6-10(9)16(18)19/h3-6H,1-2H3,(H2,13,14,15)
InChIKey WLTOCHUUCWQCFL-UHFFFAOYSA-N
Mol Weight 276.25 g/mol
Molecular Formula C12H12N4O4
Exact Mass 276.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6axGzDeX5pG
Name Methyl 3-nitro-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N4O4
InChI InChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-9-4-3-8(12(17)20-2)6-10(9)16(18)19/h3-6H,1-2H3,(H2,13,14,15)
InChIKey WLTOCHUUCWQCFL-UHFFFAOYSA-N
Molecular Weight 276.252 g/mol
SMILES N(c1n[nH]c(c1)C)c1c(N(=O)=O)cc(C(=O)OC)cc1
SPLASH splash10-004i-0090000000-42e06d1e37fea7d5c890
Source of Spectrum F4-40-389-6b
Synonyms 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoic acid methyl ester methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitro-benzoate
Wiley ID 1670285