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

*Links on SpectraBase are not permalinks.

1(3H)-Isobenzofuranone, 6-(1,1-dimethylethyl)-3-phenyl-

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

1(3H)-Isobenzofuranone, 6-(1,1-dimethylethyl)-3-phenyl-
SpectraBase Compound ID aISPJfsHap
InChI InChI=1S/C18H18O2/c1-18(2,3)13-9-10-14-15(11-13)17(19)20-16(14)12-7-5-4-6-8-12/h4-11,16H,1-3H3
InChIKey GISACTRSVWASFO-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 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 9DPCbKlEEnP
Name 1(3H)-Isobenzofuranone, 6-(1,1-dimethylethyl)-3-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-18(2,3)13-9-10-14-15(11-13)17(19)20-16(14)12-7-5-4-6-8-12/h4-11,16H,1-3H3
InChIKey GISACTRSVWASFO-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES C1(OC(C=2C=CC=CC2)C2=C1C=C(C(C)(C)C)C=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850984