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

*Links on SpectraBase are not permalinks.

Isothebaine

View entire compound with spectra: 5 NMR, and 1 MS (GC)

Isothebaine
SpectraBase Compound ID CAQRkODJNNj
InChI InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3
InChIKey RQCOQZNIQLKGTN-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 70PDEs3G1OG
Name ISOTHEBAINE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3
InChIKey RQCOQZNIQLKGTN-UHFFFAOYSA-N
Literature Reference Author H.GUINAUDEAU,M.LEBOEUF,A.CAVE
Literature Reference Citation J.NAT.PROD.,51,389(1988)
Literature Reference DOI 10.1021/np50057a001
Molecular Weight 311.381 g/mol
Solvent CDCl3
Source File Reference UWED17644