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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6oTiMaLRpa
Name (8S*,14S*)-(+-)-8-Cyanocanadine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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(CCc3c2cc2c(c3)OCO2)[C@@](c2c(C1)ccc(c2OC)OC)(C#N)[H])[H]
SPLASH splash10-000i-0019000000-7691b45ecc249ffd8845
Source of Spectrum F-56-9719-16
Wiley ID 859394