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1-CYCLO-PROPYL-1,4-DIHYDRO-4-OXO-3-PYRIDINECARBOXYLIC-ACID
SpectraBase Compound ID 807iI3pT58a
InChI InChI=1S/C9H9NO3/c11-8-3-4-10(6-1-2-6)5-7(8)9(12)13/h3-6H,1-2H2,(H,12,13)
InChIKey QLUOAKZZERAOTJ-UHFFFAOYSA-N
Mol Weight 179.17 g/mol
Molecular Formula C9H9NO3
Exact Mass 179.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xsJ9m0yxXh
Name 1-cyclopropyl-4-keto-nicotinic acid
Comments Less than 3 mono-isotopic peaks
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Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c11-8-3-4-10(6-1-2-6)5-7(8)9(12)13/h3-6H,1-2H2,(H,12,13)
InChIKey QLUOAKZZERAOTJ-UHFFFAOYSA-N
Molecular Weight 179.175 g/mol
SMILES OC(C1=CN(C2CC2)C=CC1=O)=O
SPLASH splash10-000i-0900000000-a46e19048a4aee3d6795
Source of Spectrum H1-50-873-4
Synonyms 1-cyclopropyl-4-oxidanylidene-pyridine-3-carboxylic acid 1-cyclopropyl-4-oxo-3-pyridinecarboxylic acid 1-cyclopropyl-4-oxo-pyridine-3-carboxylic acid
Wiley ID 816880