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6-(1,3-benzodioxol-5-yl)-2-hydroxy-6-methyl-2H-pyran-5-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

6-(1,3-benzodioxol-5-yl)-2-hydroxy-6-methyl-2H-pyran-5-one
SpectraBase Compound ID Hm3VezW0EO1
InChI InChI=1S/C13H12O5/c1-13(11(14)4-5-12(15)18-13)8-2-3-9-10(6-8)17-7-16-9/h2-6,12,15H,7H2,1H3
InChIKey PQQDZAMJBMMCCV-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BAfHFb8rkH9
Name 6-(1,3-Benzodioxol-5-yl)-2-hydroxy-6-methyl-2H-pyran-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.068473481 u
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-13(11(14)4-5-12(15)18-13)8-2-3-9-10(6-8)17-7-16-9/h2-6,12,15H,7H2,1H3
InChIKey PQQDZAMJBMMCCV-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES C1(OC(O)C=CC1=O)(C=1C=C2OCOC2=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965157