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4-Benzoyl-nicotinic acid

View entire compound with spectra: 1 MS (GC)

4-Benzoyl-nicotinic acid
SpectraBase Compound ID 5a9vS91RRTP
InChI InChI=1S/C13H9NO3/c15-12(9-4-2-1-3-5-9)10-6-7-14-8-11(10)13(16)17/h1-8H,(H,16,17)
InChIKey XNHHHVALCZHJCA-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C13H9NO3
Exact Mass 227.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zIiOOHKtRU
Name 4-Benzoyl-nicotinic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO3
InChI InChI=1S/C13H9NO3/c15-12(9-4-2-1-3-5-9)10-6-7-14-8-11(10)13(16)17/h1-8H,(H,16,17)
InChIKey XNHHHVALCZHJCA-UHFFFAOYSA-N
Molecular Weight 227.219 g/mol
SMILES OC(c1c(C(=O)c2ccccc2)ccnc1)=O
SPLASH splash10-004i-9520000000-d20e8bef32cb23dd78ea
Source of Spectrum F5-3-668-12
Synonyms 4-Benzoylnicotinic acid 4-Benzoyl-3-pyridinecarboxylic acid 4-Benzoylpyridine-3-carboxylic acid 4-(Phenylcarbonyl)pyridine-3-carboxylic acid
Wiley ID 1732166