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3-[1-(Phenylmethyl)-1H-pyrazol-4-yl]benzoic acid

View entire compound with spectra: 1 MS (GC)

3-[1-(Phenylmethyl)-1H-pyrazol-4-yl]benzoic acid
SpectraBase Compound ID IbyePOREerA
InChI InChI=1S/C17H14N2O2/c20-17(21)15-8-4-7-14(9-15)16-10-18-19(12-16)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,21)
InChIKey DLBORDZSTMMAAC-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C17H14N2O2
Exact Mass 278.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUJYvF3wFiB
Name 3-[1-(Phenylmethyl)-1H-pyrazol-4-yl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O2
InChI InChI=1S/C17H14N2O2/c20-17(21)15-8-4-7-14(9-15)16-10-18-19(12-16)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,21)
InChIKey DLBORDZSTMMAAC-UHFFFAOYSA-N
Molecular Weight 278.311 g/mol
SMILES OC(c1cccc(c1)-c1c[n](nc1)Cc1ccccc1)=O
SPLASH splash10-004l-7190000000-02c32b0cc1f127ffaa0b
Source of Spectrum IY-1-4210-5
Synonyms Benzoic acid, 3-[1-(phenylmethyl)-1H-pyrazol-4-yl]- 3-[1-(phenylmethyl)-4-pyrazolyl]benzoic acid 3-[1-(phenylmethyl)pyrazol-4-yl]benzoic acid
Wiley ID 1650125