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2-CYANO-3-(3-INDOLYLMETHYL)-1-METHYL-4-(PHENYLSULFONYL)-PIPERIDINE
SpectraBase Compound ID CQCmgVtB9Z1
InChI InChI=1S/C22H23N3O2S/c1-25-12-11-22(28(26,27)17-7-3-2-4-8-17)19(21(25)14-23)13-16-15-24-20-10-6-5-9-18(16)20/h2-10,15,19,21-22,24H,11-13H2,1H3/t19-,21+,22-/m0/s1
InChIKey DYHNIBOKZGGQPT-NNWRFLSQSA-N
Mol Weight 393.51 g/mol
Molecular Formula C22H23N3O2S
Exact Mass 393.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID r35OYQSobf
Name 2-CYANO-3-(3-INDOLYLMETHYL)-1-METHYL-4-(PHENYLSULFONYL)-PIPERIDINE
CAS Registry Number 143924-15-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23N3O2S
InChI InChI=1S/C22H23N3O2S/c1-25-12-11-22(28(26,27)17-7-3-2-4-8-17)19(21(25)14-23)13-16-15-24-20-10-6-5-9-18(16)20/h2-10,15,19,21-22,24H,11-13H2,1H3/t19-,21+,22-/m0/s1
InChIKey DYHNIBOKZGGQPT-NNWRFLSQSA-N
Literature Reference Author D.S.GRIERSON,J.L.BETTIOL,I.BUCK,H.P.HUSSON,M.RABIRALTA,A.DIE Z
Literature Reference Citation J.ORG.CHEM.,57,6414(1992)
Literature Reference DOI 10.1021/jo00050a012
Molecular Weight 393.504 g/mol
Solvent CDCl3
Source File Reference UWCS1212