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

*Links on SpectraBase are not permalinks.

4-Acethoxy-7-methoxyflavan

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

4-Acethoxy-7-methoxyflavan
SpectraBase Compound ID CpbrFR44Fko
InChI InChI=1S/C18H18O4/c1-12(19)21-18-11-16(13-6-4-3-5-7-13)22-17-10-14(20-2)8-9-15(17)18/h3-10,16,18H,11H2,1-2H3
InChIKey RJUZLULBRKENPV-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6OvMTvWL5Al
Name 4-Acethoxy-7-methoxyflavan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-12(19)21-18-11-16(13-6-4-3-5-7-13)22-17-10-14(20-2)8-9-15(17)18/h3-10,16,18H,11H2,1-2H3
InChIKey RJUZLULBRKENPV-UHFFFAOYSA-N
SMILES C(C)(=O)OC1CC(OC=2C1=CC=C(C2)OC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958736