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

*Links on SpectraBase are not permalinks.

4-(2-bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one

View entire compound with spectra: 1 MS (GC)

4-(2-bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
SpectraBase Compound ID IPCsLCdfhYA
InChI InChI=1S/C21H25BrO/c1-20(2,3)16-12-14(11-15-9-7-8-10-18(15)22)13-17(19(16)23)21(4,5)6/h7-13H,1-6H3
InChIKey KVKBXFODXZVSIX-UHFFFAOYSA-N
Mol Weight 373.33 g/mol
Molecular Formula C21H25BrO
Exact Mass 372.108878 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 CMnXKuyILph
Name 4-(2-bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25BrO
InChI InChI=1S/C21H25BrO/c1-20(2,3)16-12-14(11-15-9-7-8-10-18(15)22)13-17(19(16)23)21(4,5)6/h7-13H,1-6H3
InChIKey KVKBXFODXZVSIX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 373.334 g/mol
SMILES c1ccc(c(C=C2C=C(C(C(=C2)C(C)(C)C)=O)C(C)(C)C)c1)Br
SPLASH splash10-066r-1109000000-4ea65304cb7cc4c5d87b
Source of Spectrum ACI-52-SMS3-1e
Wiley ID 1781561