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

*Links on SpectraBase are not permalinks.
2-Benzoyloxymethyl-5-(4-ethoxycarbonylphenylethynyl)-1-azabicyclo[2.2.2]octane
SpectraBase Compound ID CndQWp3zU5j
InChI InChI=1S/C26H27NO4/c1-2-30-25(28)21-11-8-19(9-12-21)10-13-23-17-27-15-14-22(23)16-24(27)18-31-26(29)20-6-4-3-5-7-20/h3-9,11-12,22-24H,2,14-18H2,1H3
InChIKey RGQLXYCPFNXGRF-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C26H27NO4
Exact Mass 417.194008 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 H1aWDWGI6g2
Name 2-Benzoyloxymethyl-5-(4-ethoxycarbonylphenylethynyl)-1-azabicyclo[2.2.2]octane
Alternate Name(s) (1S,2S,4S,5S)-2-Benzoyloxymethyl-5-(4-ethoxycarbonylphenylethynyl)-1-azabicyclo[2.2.2]octane Ethyl 4-({6-[(benzoyloxy)methyl]-1-azabicyclo[2.2.2]oct-3-yl}ethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO4
InChI InChI=1S/C26H27NO4/c1-2-30-25(28)21-11-8-19(9-12-21)10-13-23-17-27-15-14-22(23)16-24(27)18-31-26(29)20-6-4-3-5-7-20/h3-9,11-12,22-24H,2,14-18H2,1H3
InChIKey RGQLXYCPFNXGRF-UHFFFAOYSA-N
Molecular Weight 417.505 g/mol
SMILES C1(N2CCC(C1)C(C#Cc1ccc(C(=O)OCC)cc1)C2)COC(=O)c1ccccc1
SPLASH splash10-004i-1490000000-47041f4058ef2f18e6db
Source of Spectrum K-2001-58-23
Wiley ID 1578338