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5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methylisochroman-1-one

View entire compound with spectra: 1 FTIR

5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methylisochroman-1-one
SpectraBase Compound ID 1Tn53GdZQiE
InChI InChI=1S/C11H11ClO6/c1-3-7(13)4-5(11(16)18-3)8(14)10(17-2)9(15)6(4)12/h3,7,13-15H,1-2H3
InChIKey DBVYXSAJCKJIRR-UHFFFAOYSA-N
Mol Weight 274.66 g/mol
Molecular Formula C11H11ClO6
Exact Mass 274.024416 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5jIcrP8ugDc
Name 5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methylisochroman-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.024415768 u
Formula C11H11ClO6
InChI InChI=1S/C11H11ClO6/c1-3-7(13)4-5(11(16)18-3)8(14)10(17-2)9(15)6(4)12/h3,7,13-15H,1-2H3
InChIKey DBVYXSAJCKJIRR-UHFFFAOYSA-N
SMILES C1(OC(C(C2=C1C(=C(C(=C2Cl)O)OC)O)O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835847