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1,3-Butanedione, 1-(3-pyridinyl)-
SpectraBase Compound ID 8wOKJDCOxXB
InChI InChI=1S/C9H9NO2/c1-7(11)5-9(12)8-3-2-4-10-6-8/h2-4,6H,5H2,1H3
InChIKey OVPXWZQQDUKDFN-UHFFFAOYSA-N
Mol Weight 163.18 g/mol
Molecular Formula C9H9NO2
Exact Mass 163.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRomAlqyS3B
Name 1,3-Butanedione, 1-(3-pyridinyl)-
CAS Registry Number 3594-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2
InChI InChI=1S/C9H9NO2/c1-7(11)5-9(12)8-3-2-4-10-6-8/h2-4,6H,5H2,1H3
InChIKey OVPXWZQQDUKDFN-UHFFFAOYSA-N
Molecular Weight 163.176 g/mol
SMILES CC(CC(=O)c1cccnc1)=O
SPLASH splash10-08ia-9600000000-09d5617c09ec518d00e3
Source of Spectrum O-3-1241-1
Synonyms 1-(3-Pyridinyl)-1,3-butanedione 1,3-Butanedione, 1-(3-pyridyl)- 1-(3-pyridinyl)butane-1,3-dione 1-(3-Pyridyl)-1,3-butanedione 1-(3-pyridyl)butane-1,3-dione 1-Pyridin-3-ylbutane-1,3-dione Nicotinoylacetone
Wiley ID 13523