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

*Links on SpectraBase are not permalinks.

BzCN

View entire compound with spectra: 1 MS (GC)

BzCN
SpectraBase Compound ID DzAsd4o9phj
InChI InChI=1S/C26H26N2O2/c1-2-18-17-28-15-13-20(18)16-24(28)25(30-26(29)19-8-4-3-5-9-19)22-12-14-27-23-11-7-6-10-21(22)23/h2-12,14,18,20,24-25H,1,13,15-17H2/t18-,20+,24-,25-/m0/s1
InChIKey XOEFQGQIXMPRIN-OCOKVPCDSA-N
Mol Weight 398.51 g/mol
Molecular Formula C26H26N2O2
Exact Mass 398.199428 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 6Gby2VadcoX
Name BzCN
Alternate Name(s) (9S)-cinchonan-9-yl benzoate benzoic acid[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl]ester benzoic acid[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]ester Benzoylcinchonine [(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl]benzoate [(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]benzoate benzoic acid [(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl] ester [(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] benzoate [(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] benzoate [(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O2
InChI InChI=1S/C26H26N2O2/c1-2-18-17-28-15-13-20(18)16-24(28)25(30-26(29)19-8-4-3-5-9-19)22-12-14-27-23-11-7-6-10-21(22)23/h2-12,14,18,20,24-25H,1,13,15-17H2/t18-,20+,24-,25-/m0/s1
InChIKey XOEFQGQIXMPRIN-OCOKVPCDSA-N
Molecular Weight 398.506 g/mol
SMILES [C@]1(N2CC[C@](C1)([C@](C2)(C=C)[H])[H])([C@@](OC(=O)c1ccccc1)(c1c2c(cccc2)ncc1)[H])[H]
SPLASH splash10-000i-0921000000-68583929b8f59758a48a
Source of Spectrum O-35-713-19
Wiley ID 818203