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2,2,5-trimethyl-7-oxidanyl-3H-chromen-4-one

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

2,2,5-trimethyl-7-oxidanyl-3H-chromen-4-one
SpectraBase Compound ID CB3TF1VaPuQ
InChI InChI=1S/C12H14O3/c1-7-4-8(13)5-10-11(7)9(14)6-12(2,3)15-10/h4-5,13H,6H2,1-3H3
InChIKey RDRXIUHZBNIYAV-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GokrgrrD8uB
Name 2,2,5-Trimethyl-7-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 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-7-4-8(13)5-10-11(7)9(14)6-12(2,3)15-10/h4-5,13H,6H2,1-3H3
InChIKey RDRXIUHZBNIYAV-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C1(CC(C=2C(=CC(=CC2O1)O)C)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974736