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(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)-1-butanone
SpectraBase Compound ID 8j9k2hZIL7S
InChI InChI=1S/C20H22O7/c1-23-18-8-13(9-19(24-2)20(18)25-3)15(22)10-14(21)6-12-4-5-16-17(7-12)27-11-26-16/h4-5,7-9,14,21H,6,10-11H2,1-3H3
InChIKey IGRGSDXRBNFNHT-UHFFFAOYSA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BFyTReRxWM
Name (1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)-1-butanone
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-23-18-8-13(9-19(24-2)20(18)25-3)15(22)10-14(21)6-12-4-5-16-17(7-12)27-11-26-16/h4-5,7-9,14,21H,6,10-11H2,1-3H3
InChIKey IGRGSDXRBNFNHT-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b01007
Molecular Weight 374.389 g/mol
SMILES OC(Cc1cc2c(cc1)OCO2)CC(c1cc(c(c(c1)OC)OC)OC)=O
SPLASH splash10-0002-1900000000-3efc7f821c97236fa601
Source of Spectrum G4-79-926-3bx
Wiley ID 1849294