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

*Links on SpectraBase are not permalinks.

(1S,4S,5R)-4-Bromo-1,5-dimethyl-7-(4-methoxyphenyl)bicyclo[3.2.1]oct-6-en-2-one

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

(1S,4S,5R)-4-Bromo-1,5-dimethyl-7-(4-methoxyphenyl)bicyclo[3.2.1]oct-6-en-2-one
SpectraBase Compound ID 7enNlF7O1Yq
InChI InChI=1S/C17H19BrO2/c1-16-9-13(11-4-6-12(20-3)7-5-11)17(2,10-16)15(19)8-14(16)18/h4-7,9,14H,8,10H2,1-3H3/t14-,16-,17-/m0/s1
InChIKey XAEBHCOVOPHAIX-XIRDDKMYSA-N
Mol Weight 335.24 g/mol
Molecular Formula C17H19BrO2
Exact Mass 334.056843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 63LLZrFEsby
Name (1S,4S,5R)-4-Bromo-1,5-dimethyl-7-(4-methoxyphenyl)bicyclo[3.2.1]oct-6-en-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.056842850 u
Formula C17H19BrO2
InChI InChI=1S/C17H19BrO2/c1-16-9-13(11-4-6-12(20-3)7-5-11)17(2,10-16)15(19)8-14(16)18/h4-7,9,14H,8,10H2,1-3H3/t14-,16-,17-/m0/s1
InChIKey XAEBHCOVOPHAIX-XIRDDKMYSA-N
Molecular Weight 335.241 g/mol
SMILES [C@@]12(C(=C[C@@](C2)([C@@](Br)(CC1=O)[H])C)C=1C=CC(=CC1)OC)C