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2,2-Dimethyl-6,7-bis(oxidanyl)-3H-chromen-4-one

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

2,2-Dimethyl-6,7-bis(oxidanyl)-3H-chromen-4-one
SpectraBase Compound ID 3sRlgedxuYW
InChI InChI=1S/C11H12O4/c1-11(2)5-9(14)6-3-7(12)8(13)4-10(6)15-11/h3-4,12-13H,5H2,1-2H3
InChIKey JGRHFPHUUWREDA-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7JLLE9ApNiF
Name 2,2-Dimethyl-6,7-bis(oxidanyl)-3H-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-11(2)5-9(14)6-3-7(12)8(13)4-10(6)15-11/h3-4,12-13H,5H2,1-2H3
InChIKey JGRHFPHUUWREDA-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES C12=C(OC(CC2=O)(C)C)C=C(C(=C1)O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967114