For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-one-6-carboxaldehyde

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-one-6-carboxaldehyde
SpectraBase Compound ID 4jdLVwGeNQG
InChI InChI=1S/C12H12O3/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5,7H,6H2,1-2H3
InChIKey PVXPKUDFWXXKME-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CGh7HszisLd
Name 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-one-6-carboxaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5,7H,6H2,1-2H3
InChIKey PVXPKUDFWXXKME-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES C=12OC(CC(C2=CC(C=O)=CC1)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980392