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7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

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

7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
SpectraBase Compound ID DOukNoBw7up
InChI InChI=1S/C13H16O4/c1-13(2)7-9(14)8-5-6-10(15-3)12(16-4)11(8)17-13/h5-6H,7H2,1-4H3
InChIKey BLMSHROQMPROQW-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Nw0cfpRLGX
Name 7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2)7-9(14)8-5-6-10(15-3)12(16-4)11(8)17-13/h5-6H,7H2,1-4H3
InChIKey BLMSHROQMPROQW-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C12=C(C(=O)CC(O2)(C)C)C=CC(=C1OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930627