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1-methyl-2-[3,4-(methylenedioxy)phenyl]-4(1H)-quinolone

View entire compound with spectra: 1 NMR, 1 FTIR, 2 UV-Vis, and 2 MS (GC)

1-methyl-2-[3,4-(methylenedioxy)phenyl]-4(1H)-quinolone
SpectraBase Compound ID Hv5bBh8pFJX
InChI InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
InChIKey COBBNRKBTCBWQP-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyvQtKdiWG3
Name 2-(1,3-Benzodioxol-5-yl)-1-methyl-4(1H)-quinolinone (graveoline)
CAS Registry Number 485-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
InChIKey COBBNRKBTCBWQP-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES C=1(N(c2ccccc2C(C1)=O)C)c1cc2OCOc2cc1
SPLASH splash10-0fc0-3090000000-d893098a745ce62165d6
Source of Spectrum W5-1989-34593-30943
Synonyms 2-(1,3-benzodioxol-5-yl)-1-methyl-4-quinolinone 2-(1,3-benzodioxol-5-yl)-1-methyl-4-quinolone 2-(1,3-benzodioxol-5-yl)-1-methyl-quinolin-4-one Graveoline
Wiley ID 1283095