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[2S]-(+)-3',4',6'-trimethoxyisoflavanone

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

[2S]-(+)-3',4',6'-trimethoxyisoflavanone
SpectraBase Compound ID 4jWSY7XBLff
InChI InChI=1S/C18H18O5/c1-20-15-9-17(22-3)16(21-2)8-12(15)13-10-23-14-7-5-4-6-11(14)18(13)19/h4-9,13H,10H2,1-3H3/t13-/m1/s1
InChIKey PGBZSYGUQMRNIO-CYBMUJFWSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5vGDEO7Q33o
Name [2S]-(+)-3',4',6'-trimethoxyisoflavanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.115423675 u
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-20-15-9-17(22-3)16(21-2)8-12(15)13-10-23-14-7-5-4-6-11(14)18(13)19/h4-9,13H,10H2,1-3H3/t13-/m1/s1
InChIKey PGBZSYGUQMRNIO-CYBMUJFWSA-N
Molecular Weight 314.337 g/mol
SMILES [C@@]1(C(C=2C=CC=CC2OC1)=O)(C1=C(C=C(C(=C1)OC)OC)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848904