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

*Links on SpectraBase are not permalinks.
1-(4-bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
SpectraBase Compound ID 37VVKUmYo21
InChI InChI=1S/C28H29BrNO2/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,32H,15-20H2/q+1
InChIKey JHQFDHSPOYHZMH-UHFFFAOYSA-N
Mol Weight 491.45 g/mol
Molecular Formula C28H29BrNO2
Exact Mass 490.138167 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 A5tt66mk8l7
Name 1-(4-bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29BrNO2
InChI InChI=1S/C28H29BrNO2/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,32H,15-20H2/q+1
InChIKey JHQFDHSPOYHZMH-UHFFFAOYSA-N
Molecular Weight 491.449 g/mol
SMILES OC(C1C[N+]2(CC(c3ccc(Br)cc3)=O)CCC1CC2)(c1ccccc1)c1ccccc1
SPLASH splash10-0540-5920000000-e0cb0b427bf8f7d8c7b8
Synonyms 1-(4-bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]quinuclidin-1-ium-1-yl]ethanone 1-(4-bromophenyl)-2-[3-[oxidanyl(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
Wiley ID 1461533