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Bavachinin

View entire compound with spectra: 1 NMR, and 1 FTIR

Bavachinin
SpectraBase Compound ID IXmwt82jHY2
InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
InChIKey VOCGSQHKPZSIKB-FQEVSTJZSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EgRFaF7G5Xg
Name Bavachinin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
InChIKey VOCGSQHKPZSIKB-FQEVSTJZSA-N
Molecular Weight 338.403 g/mol
SMILES [C@@]1(CC(=O)C2=CC(=C(C=C2O1)OC)CC=C(C)C)(C1=CC=C(C=C1)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809272