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7-Methoxy-isoflavanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

7-Methoxy-isoflavanone
SpectraBase Compound ID FbSruDyXua1
InChI InChI=1S/C16H14O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
InChIKey JVMWFGYBGRWDEO-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IuuoyQiUxxs
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-3-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
InChIKey JVMWFGYBGRWDEO-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C1(=O)C2=C(C=C(C=C2)OC)OCC1C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85907