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3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
SpectraBase Compound ID HZnM6eU8A8n
InChI InChI=1S/C18H16O5/c1-10-13-6-5-12(19)9-15(13)23-18(20)17(10)11-4-7-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3
InChIKey AQGVQGLSKSEDGI-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 5RiYQjMwn6X
Name 3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-methylchromen-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/c1-10-13-6-5-12(19)9-15(13)23-18(20)17(10)11-4-7-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3
InChIKey AQGVQGLSKSEDGI-UHFFFAOYSA-N
SMILES C=1(C(OC=2C(C1C)=CC=C(C2)O)=O)C1=CC(=C(OC)C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89012