For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-[3-(Ethoxycarbonyl)propyl]-7,4'-dihydroxyisoflavone

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

2-[3-(Ethoxycarbonyl)propyl]-7,4'-dihydroxyisoflavone
SpectraBase Compound ID 3UJezKRPpic
InChI InChI=1S/C21H20O6/c1-2-26-19(24)5-3-4-17-20(13-6-8-14(22)9-7-13)21(25)16-11-10-15(23)12-18(16)27-17/h6-12,22-23H,2-5H2,1H3
InChIKey VQKSLEZPUOXXSF-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8iQLx7OWA7Q
Name 2-[3-(Ethoxycarbonyl)propyl]-7,4'-dihydroxyisoflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.125988358 u
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-2-26-19(24)5-3-4-17-20(13-6-8-14(22)9-7-13)21(25)16-11-10-15(23)12-18(16)27-17/h6-12,22-23H,2-5H2,1H3
InChIKey VQKSLEZPUOXXSF-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES C=1(C(C=2C=CC(=CC2OC1CCCC(=O)OCC)O)=O)C=1C=CC(=CC1)O