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METHYL-(1RS,2RS,6RS)-1-(METHOXYCARBONYL)-3-METHYL-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[5,4-B]-INDOLE-5-(E)-ACRYLATE
SpectraBase Compound ID Lax97YOOqpx
InChI InChI=1S/C21H22N2O4/c1-23-11-12(8-9-17(24)26-2)14-10-16(23)19(21(25)27-3)18-13-6-4-5-7-15(13)22-20(14)18/h4-9,11,14,16,19,22H,10H2,1-3H3/b9-8+/t14?,16?,19-/m1/s1
InChIKey OCWYHYHTOIQEKO-DEBOEUCPSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpeQMJUwZOc
Name METHYL-(1RS,2RS,6RS)-1-(METHOXYCARBONYL)-3-METHYL-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[5,4-B]-INDOLE-5-(E)-ACRYLATE
CAS Registry Number 119219-82-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-23-11-12(8-9-17(24)26-2)14-10-16(23)19(21(25)27-3)18-13-6-4-5-7-15(13)22-20(14)18/h4-9,11,14,16,19,22H,10H2,1-3H3/b9-8+/t14?,16?,19-/m1/s1
InChIKey OCWYHYHTOIQEKO-DEBOEUCPSA-N
Literature Reference Author M.L.BENNASAR,M.ALVAREZ,R.LAVILLA,E.ZULAICA,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,55,1156(1990)
Literature Reference DOI 10.1021/jo00291a013
Molecular Weight 366.417 g/mol
Solvent DMSO-D6
Source File Reference UWED12528