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

*Links on SpectraBase are not permalinks.

1-Bromo-3,5-ditert-butylbenzene

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 3 MS (GC)

1-Bromo-3,5-ditert-butylbenzene
SpectraBase Compound ID LndbFHFmdLK
InChI InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
InChIKey BUOWTUULDKULFI-UHFFFAOYSA-N
Mol Weight 269.23 g/mol
Molecular Formula C14H21Br
Exact Mass 268.082664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID YNyjyBf0K
Name 1-Bromo-3,5-ditert-butylbenzene
CAS Registry Number 22385-77-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21Br
InChI InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
InChIKey BUOWTUULDKULFI-UHFFFAOYSA-N
Molecular Weight 269.226 g/mol
SMILES c1c(cc(cc1C(C)(C)C)Br)C(C)(C)C
SPLASH splash10-0zfr-0090000000-5a709641401587216144
Source of Spectrum AH-84-1501-35
Synonyms 1-bromanyl-3,5-ditert-butyl-benzene 3,5-Di-tert-butylbromobenzene
Wiley ID 1584827