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

*Links on SpectraBase are not permalinks.

(8S*,14S*)-(+-)-8-cyanocanadine

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

(8S*,14S*)-(+-)-8-cyanocanadine
SpectraBase Compound ID GAywwLAVzQg
InChI InChI=1S/C21H20N2O4/c1-24-17-4-3-13-7-15-14-9-19-18(26-11-27-19)8-12(14)5-6-23(15)16(10-22)20(13)21(17)25-2/h3-4,8-9,15-16H,5-7,11H2,1-2H3/t15-,16+/m0/s1
InChIKey PGKABXYBTVHYTF-JKSUJKDBSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Gc5UFiRljBX
Name (8S*,14S*)-(+-)-8-cyanocanadine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.142307128 u
Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-24-17-4-3-13-7-15-14-9-19-18(26-11-27-19)8-12(14)5-6-23(15)16(10-22)20(13)21(17)25-2/h3-4,8-9,15-16H,5-7,11H2,1-2H3/t15-,16+/m0/s1
InChIKey PGKABXYBTVHYTF-JKSUJKDBSA-N
Molecular Weight 364.401 g/mol
SMILES [C@@]12(N(CCC=3C2=CC2=C(C3)OCO2)[C@@](C2=C(C1)C=CC(=C2OC)OC)(C#N)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869102