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3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
SpectraBase Compound ID DQO6cJdGrRl
InChI InChI=1S/C11H9N3O4/c15-11(16)9-3-1-2-8(4-9)6-13-7-10(5-12-13)14(17)18/h1-5,7H,6H2,(H,15,16)
InChIKey QDXCLKKKDQFNQR-UHFFFAOYSA-N
Mol Weight 247.21 g/mol
Molecular Formula C11H9N3O4
Exact Mass 247.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Np3ker3ho
Name 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O4
InChI InChI=1S/C11H9N3O4/c15-11(16)9-3-1-2-8(4-9)6-13-7-10(5-12-13)14(17)18/h1-5,7H,6H2,(H,15,16)
InChIKey QDXCLKKKDQFNQR-UHFFFAOYSA-N
Molecular Weight 247.210 g/mol
SMILES OC(c1cc(C[n]2cc(N(=O)=O)cn2)ccc1)=O
SPLASH splash10-0012-3590000000-14aaa9be08e4ccb7827e
Source of Spectrum IY-2-5124-1
Synonyms 3-[(4-nitro-1-pyrazolyl)methyl]benzoic acid
Wiley ID 1659224