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3-(3,4-Dimethoxyphenyl)-8-methoxychromen-2-one

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(3,4-Dimethoxyphenyl)-8-methoxychromen-2-one
SpectraBase Compound ID QdC7A2fcNi
InChI InChI=1S/C18H16O5/c1-20-14-8-7-11(10-16(14)22-3)13-9-12-5-4-6-15(21-2)17(12)23-18(13)19/h4-10H,1-3H3
InChIKey PLZMPTVQPGFVSD-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BqcpSsUsWe4
Name 3-(3,4-Dimethoxyphenyl)-8-methoxychromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-20-14-8-7-11(10-16(14)22-3)13-9-12-5-4-6-15(21-2)17(12)23-18(13)19/h4-10H,1-3H3
InChIKey PLZMPTVQPGFVSD-UHFFFAOYSA-N
SMILES C=1(C(OC=2C(C1)=CC=CC2OC)=O)C1=CC(OC)=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962463