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3-Methyl-1H,10H-pyrano[4,3-b][1]benzopyran-1,10-dione

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

3-Methyl-1H,10H-pyrano[4,3-b][1]benzopyran-1,10-dione
SpectraBase Compound ID InCuUhxQ6bX
InChI InChI=1S/C13H8O4/c1-7-6-10-11(13(15)16-7)12(14)8-4-2-3-5-9(8)17-10/h2-6H,1H3
InChIKey IKGNVNMTFAAGEA-UHFFFAOYSA-N
Mol Weight 228.2 g/mol
Molecular Formula C13H8O4
Exact Mass 228.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CyqpEACNKVe
Name 3-Methyl-1H,10H-pyrano[4,3-B][1]benzopyran-1,10-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.042258734 u
Formula C13H8O4
InChI InChI=1S/C13H8O4/c1-7-6-10-11(13(15)16-7)12(14)8-4-2-3-5-9(8)17-10/h2-6H,1H3
InChIKey IKGNVNMTFAAGEA-UHFFFAOYSA-N
Molecular Weight 228.203 g/mol
SMILES C12=C(OC=3C(C2=O)=CC=CC3)C=C(OC1=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944661