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5-Hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-one

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

5-Hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-one
SpectraBase Compound ID CTDacQbokai
InChI InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3
InChIKey PJCFJNHVNWMRPD-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CMorBiQ5MIa
Name 5-Hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.068473481 u
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3
InChIKey PJCFJNHVNWMRPD-UHFFFAOYSA-N
Molecular Weight 236.223 g/mol
SMILES C12=C(C(OC)=C(C=C2OC(C)=CC1=O)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924645