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

*Links on SpectraBase are not permalinks.
1(3H)-Isobenzofuranone, 5-(1,1-dimethylethyl)-3a,4,5,6-tetrahydro-3,3-diphenyl-, trans-
SpectraBase Compound ID BR4U0RAZBPS
InChI InChI=1S/C24H26O2/c1-23(2,3)19-14-15-20-21(16-19)24(26-22(20)25,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,19,21H,14,16H2,1-3H3/t19-,21-/m0/s1
InChIKey QCBOQEKQVJTCFU-FPOVZHCZSA-N
Mol Weight 346.47 g/mol
Molecular Formula C24H26O2
Exact Mass 346.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FdFnuHltLdB
Name 1(3H)-Isobenzofuranone, 5-(1,1-dimethylethyl)-3a,4,5,6-tetrahydro-3,3-diphenyl-, trans-
Alternate Name(s) (3aS,5S)-5-tert-butyl-3,3-diphenyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one 5-tert-Butyl-3,3-diphenyl-3a.alpha.,4,5.alpha.,6-tetrahydro-1(3H)-isobenzofuranone
CAS Registry Number 96759-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O2
InChI InChI=1S/C24H26O2/c1-23(2,3)19-14-15-20-21(16-19)24(26-22(20)25,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,19,21H,14,16H2,1-3H3/t19-,21-/m0/s1
InChIKey QCBOQEKQVJTCFU-FPOVZHCZSA-N
Molecular Weight 346.470 g/mol
SMILES C1([C@@]2(C(=CC[C@@](C2)(C(C)(C)C)[H])C(O1)=O)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-0bt9-5900000000-5588bd11a098af7a0a3e
Source of Spectrum C-107-4753-0
Wiley ID 1339746