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

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

(8S*,14S*)-(+-)-8-cyanoxylopinine
SpectraBase Compound ID ELsJws3iTF5
InChI InChI=1S/C22H24N2O4/c1-25-19-8-13-5-6-24-17(15(13)10-21(19)27-3)7-14-9-20(26-2)22(28-4)11-16(14)18(24)12-23/h8-11,17-18H,5-7H2,1-4H3/t17-,18+/m0/s1
InChIKey ABGCOYUSXQSXGM-ZWKOTPCHSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kzvr8afgYXv
Name (8S*,14S*)-(+-)-8-cyanoxylopinine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.173607257 u
Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-25-19-8-13-5-6-24-17(15(13)10-21(19)27-3)7-14-9-20(26-2)22(28-4)11-16(14)18(24)12-23/h8-11,17-18H,5-7H2,1-4H3/t17-,18+/m0/s1
InChIKey ABGCOYUSXQSXGM-ZWKOTPCHSA-N
Molecular Weight 380.444 g/mol
SMILES [C@@]12(N(CCC=3C2=CC(=C(C3)OC)OC)[C@@](C2=C(C1)C=C(C(=C2)OC)OC)(C#N)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944945