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

*Links on SpectraBase are not permalinks.

4,4a,5,8-Tetrahydro-4-isopropyl-1-phenyl-5,8-methano-3H-2-benzopyran-3-one

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

4,4a,5,8-Tetrahydro-4-isopropyl-1-phenyl-5,8-methano-3H-2-benzopyran-3-one
SpectraBase Compound ID 1XxkZRTXmhX
InChI InChI=1S/C19H20O2/c1-11(2)15-16-13-8-9-14(10-13)17(16)18(21-19(15)20)12-6-4-3-5-7-12/h3-9,11,13-16H,10H2,1-2H3
InChIKey XLQCXARRJOXPHA-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 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 DjSS2kwlLrt
Name 4,4A,5,8-Tetrahydro-4-isopropyl-1-phenyl-5,8-methano-3H-2-benzopyran-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.146329882 u
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-11(2)15-16-13-8-9-14(10-13)17(16)18(21-19(15)20)12-6-4-3-5-7-12/h3-9,11,13-16H,10H2,1-2H3
InChIKey XLQCXARRJOXPHA-UHFFFAOYSA-N
SMILES C12=C(OC(C(C2C2CC1C=C2)C(C)C)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977959