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2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[4,3-B]-INDOLE,ISOMER-#1
SpectraBase Compound ID CfSg8vXteR1
InChI InChI=1S/C22H24N2OS/c25-26(17-6-2-1-3-7-17)13-12-24-11-10-16-14-20-22(21(24)15-16)18-8-4-5-9-19(18)23-20/h1-9,16,21,23H,10-15H2/t16-,21-,26?/m1/s1
InChIKey USIHWHYXEPWFPP-HHZQWZKGSA-N
Mol Weight 364.51 g/mol
Molecular Formula C22H24N2OS
Exact Mass 364.160935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHQkBAkz9Pg
Name 2-[2-(PHENYLSULFINYL)-ETHYL]-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[4,3-B]-INDOLE,ISOMER-#2
CAS Registry Number 143370-98-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2OS
InChI InChI=1S/C22H24N2OS/c25-26(17-6-2-1-3-7-17)13-12-24-11-10-16-14-20-22(21(24)15-16)18-8-4-5-9-19(18)23-20/h1-9,16,21,23H,10-15H2/t16-,21-,26?/m1/s1
InChIKey USIHWHYXEPWFPP-HHZQWZKGSA-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 364.505 g/mol
Solvent CDCl3
Source File Reference UWCS353