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4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)butan-1-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)butan-1-one
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7ejVNCz1lT
Name 4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.136553041 u
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
Molecular Weight 374.389 g/mol
SMILES C(CC(CC1=CC2=C(C=C1)OCO2)O)(=O)C1=CC(OC)=C(OC)C(OC)=C1