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METHYL_3-(E)-ETHYLIDENE-5-(3-HYDROXYPROPYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL_3-(E)-ETHYLIDENE-5-(3-HYDROXYPROPYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
SpectraBase Compound ID K971adbgUYv
InChI InChI=1S/C21H26N2O3/c1-3-14-13-22(9-6-10-24)18-12-16(14)20(21(25)26-2)23-17-8-5-4-7-15(17)11-19(18)23/h3-5,7-8,11,16,18,20,24H,6,9-10,12-13H2,1-2H3/b14-3+/t16-,18-,20+/m0/s1
InChIKey KLRWDHFMQCEXQE-NXHNGOKJSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vWR7ECnfCw
Name METHYL_3-(E)-ETHYLIDENE-5-(3-HYDROXYPROPYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
Compound Number 36B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-3-14-13-22(9-6-10-24)18-12-16(14)20(21(25)26-2)23-17-8-5-4-7-15(17)11-19(18)23/h3-5,7-8,11,16,18,20,24H,6,9-10,12-13H2,1-2H3/b14-3+/t16-,18-,20+/m0/s1
InChIKey KLRWDHFMQCEXQE-NXHNGOKJSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,J.M.JIMENEZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,58,7756(1993)
Literature Reference DOI 10.1021/jo00079a021
Molecular Weight 354.449 g/mol
Solvent CDCl3
Source File Reference UWMZ2034