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

*Links on SpectraBase are not permalinks.

METHYL_5-(CHLOROACETYL)-3-(E)-ETHYLIDENE-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL_5-(CHLOROACETYL)-3-(E)-ETHYLIDENE-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE
SpectraBase Compound ID D1cSd3A0FPV
InChI InChI=1S/C20H21ClN2O3/c1-3-12-11-22(18(24)10-21)16-9-14(12)19(20(25)26-2)23-15-7-5-4-6-13(15)8-17(16)23/h3-8,14,16,19H,9-11H2,1-2H3/b12-3+/t14-,16-,19+/m0/s1
InChIKey QFVKDHGWPIJTIW-RUZCQFCCSA-N
Mol Weight 372.85 g/mol
Molecular Formula C20H21ClN2O3
Exact Mass 372.12407 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 4eiuGDEMRYL
Name METHYL_5-(CHLOROACETYL)-3-(E)-ETHYLIDENE-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21ClN2O3
InChI InChI=1S/C20H21ClN2O3/c1-3-12-11-22(18(24)10-21)16-9-14(12)19(20(25)26-2)23-15-7-5-4-6-13(15)8-17(16)23/h3-8,14,16,19H,9-11H2,1-2H3/b12-3+/t14-,16-,19+/m0/s1
InChIKey QFVKDHGWPIJTIW-RUZCQFCCSA-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 372.851 g/mol
Solvent CDCl3
Source File Reference UWMZ2048