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Nicotinic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-
SpectraBase Compound ID 3c82GqgwiCt
InChI InChI=1S/C8H9NO3/c1-4-3-5(2)9-7(10)6(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKey IBXQMVFDHWEASI-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENuFoan2ck2
Name Nicotinic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-
Alternate Name(s) 2-Hydroxy-4,6-dimethyl-nicotinic acid 2-keto-4,6-dimethyl-1H-pyridine-3-carboxylic acid 4,6-Dimethyl-2-oxidanylidene-1H-pyridine-3-carboxylic acid 4,6-Dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
CAS Registry Number 24667-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-4-3-5(2)9-7(10)6(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKey IBXQMVFDHWEASI-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES N1C(C(C(=O)O)=C(C=C1C)C)=O
SPLASH splash10-006y-9600000000-3893e69817c7b8b65e59
Wiley ID 1440353