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

*Links on SpectraBase are not permalinks.

1,5-Diphenyl-2-((1'S,2'S,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl)-3-((1"S,2"S,4"S,5"S)-2"-hydroxymethyl-1"-azabicyclo[2.2.2]oct-5"-yl)benzene

View entire compound with spectra: 2 MS (GC)

1,5-Diphenyl-2-((1'S,2'S,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl)-3-((1"S,2"S,4"S,5"S)-2"-hydroxymethyl-1"-azabicyclo[2.2.2]oct-5"-yl)benzene
SpectraBase Compound ID 3ZNF2dws6Id
InChI InChI=1S/C36H40N2O2/c39-23-31-17-27-13-15-37(31)21-29(27)11-12-33-34(26-9-5-2-6-10-26)19-30(25-7-3-1-4-8-25)20-35(33)36-22-38-16-14-28(36)18-32(38)24-40/h1-10,19-20,27-29,31-32,36,39-40H,13-18,21-24H2/t27-,28-,29-,31-,32-,36-/m0/s1
InChIKey RWAGQBOUVVHDTP-GYLDQMLBSA-N
Mol Weight 532.7 g/mol
Molecular Formula C36H40N2O2
Exact Mass 532.308979 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 Ho7XbQuFYfD
Name 1,5-Diphenyl-2-((1'S,2'S,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl)-3-((1"S,2"S,4"S,5"S)-2"-hydroxymethyl-1"-azabicyclo[2.2.2]oct-5"-yl)benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40N2O2
InChI InChI=1S/C36H40N2O2/c39-23-31-17-27-13-15-37(31)21-29(27)11-12-33-34(26-9-5-2-6-10-26)19-30(25-7-3-1-4-8-25)20-35(33)36-22-38-16-14-28(36)18-32(38)24-40/h1-10,19-20,27-29,31-32,36,39-40H,13-18,21-24H2/t27-,28-,29-,31-,32-,36-/m0/s1
InChIKey RWAGQBOUVVHDTP-GYLDQMLBSA-N
Molecular Weight 532.728 g/mol
SMILES OC[C@@]1(C[C@@]2(CCN1C[C@@]2(C#Cc1c([C@@]2([C@@]3(C[C@@](CO)(N(C2)CC3)[H])[H])[H])cc(cc1-c1ccccc1)-c1ccccc1)[H])[H])[H]
SPLASH splash10-001i-0000090000-b348578bc5b830aa91c1
Source of Spectrum F-65-6234-17
Wiley ID 1680196