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METHYL-2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[4,3-B]-INDOLE-7-CARBOXYLATE,ISOMER-#1
SpectraBase Compound ID 8wFN6KEJFEt
InChI InChI=1S/C24H26N2O3S/c1-29-24(27)26-20-10-6-5-9-19(20)23-21-15-17(16-22(23)26)11-12-25(21)13-14-30(28)18-7-3-2-4-8-18/h2-10,17,21H,11-16H2,1H3/t17-,21+,30?/m0/s1
InChIKey CUCSCQSEMJSMKA-KWTROWPDSA-N
Mol Weight 422.54 g/mol
Molecular Formula C24H26N2O3S
Exact Mass 422.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WDA7CX9PvJ
Name METHYL-2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[4,3-B]-INDOLE-7-CARBOXYLATE,ISOMER-#1
CAS Registry Number 143370-85-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26N2O3S
InChI InChI=1S/C24H26N2O3S/c1-29-24(27)26-20-10-6-5-9-19(20)23-21-15-17(16-22(23)26)11-12-25(21)13-14-30(28)18-7-3-2-4-8-18/h2-10,17,21H,11-16H2,1H3/t17-,21+,30?/m0/s1
InChIKey CUCSCQSEMJSMKA-KWTROWPDSA-N
Literature Reference Author M.AMAT,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,57,5792(1992)
Literature Reference DOI 10.1021/jo00047a047
Molecular Weight 422.542 g/mol
Solvent CDCl3
Source File Reference UWCS349