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Benzoic acid, 4-(5-methyl-3-nitropyrazol-1-ylmethyl)-
SpectraBase Compound ID 2K57abisV3b
InChI InChI=1S/C13H13N3O4/c1-9-7-12(16(18)19)14-15(9)8-10-3-5-11(6-4-10)13(17)20-2/h3-7H,8H2,1-2H3
InChIKey FOVJSTWURUAITC-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpcQzvCgdni
Name Benzoic acid, 4-(5-methyl-3-nitropyrazol-1-ylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-9-7-12(16(18)19)14-15(9)8-10-3-5-11(6-4-10)13(17)20-2/h3-7H,8H2,1-2H3
InChIKey FOVJSTWURUAITC-UHFFFAOYSA-N
Molecular Weight 275.264 g/mol
SMILES c1(n[n](Cc2ccc(C(=O)OC)cc2)c(c1)C)N(=O)=O
SPLASH splash10-00re-9520000000-087a8e7f1a271fe383d5
Source of Spectrum AD-0-2532-0
Synonyms 4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzoic acid methyl ester 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid methyl ester Methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate Methyl 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate
Wiley ID 1434882