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

*Links on SpectraBase are not permalinks.
endo-1,6-Bis(1,1-dimethylethyl)-3-phenylbicyclo[3.2.1]oct-6-ene-2,8-dione
SpectraBase Compound ID CGB3rWyrOPe
InChI InChI=1S/C22H28O2/c1-20(2,3)17-13-22(21(4,5)6)18(23)15(12-16(17)19(22)24)14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t15?,16-,22+/m0/s1
InChIKey CCXANOLVHMMYIP-UHFFFAOYSA-N
Mol Weight 324.46 g/mol
Molecular Formula C22H28O2
Exact Mass 324.20893 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 GpUdUzRkb7h
Name endo-1,6-Bis(1,1-dimethylethyl)-3-phenylbicyclo[3.2.1]oct-6-ene-2,8-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2
InChI InChI=1S/C22H28O2/c1-20(2,3)17-13-22(21(4,5)6)18(23)15(12-16(17)19(22)24)14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t15-,16+,22-/m1/s1
InChIKey CCXANOLVHMMYIP-UHFFFAOYSA-N
Molecular Weight 324.464 g/mol
SMILES [C@]12(C([C@](C(=C2)C(C)(C)C)(C[C@@](C1=O)(c1ccccc1)[H])[H])=O)C(C)(C)C
SPLASH splash10-0abd-9857000000-f97977d672442225bc06
Source of Spectrum F-56-3739-18
Synonyms exo-1,6-Bis(1,1-dimethylethyl)-3-phenylbicyclo[3.2.1]oct-6-ene-2,8-dione 1,6-Ditert-butyl-3-phenylbicyclo[3.2.1]oct-6-ene-2,8-dione
Wiley ID 857169