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2-Cyano-4-[2-(1,3-dithian-2-yl)-3-indolyl]-3-.alpha.-ethyl-1-methylpiperidine isomer
SpectraBase Compound ID Att4qUszW80
InChI InChI=1S/C21H27N3S2/c1-3-14-15(9-10-24(2)18(14)13-22)19-16-7-4-5-8-17(16)23-20(19)21-25-11-6-12-26-21/h4-5,7-8,14-15,18,21,23H,3,6,9-12H2,1-2H3/t14-,15?,18?/m1/s1
InChIKey ZKPHIUDMBXGOOL-KSTDHSDQSA-N
Mol Weight 385.59 g/mol
Molecular Formula C21H27N3S2
Exact Mass 385.16464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEpYnScjorc
Name 2-Cyano-4-[2-(1,3-dithian-2-yl)-3-indolyl]-3-.alpha.-ethyl-1-methylpiperidine isomer
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Formula C21H27N3S2
InChI InChI=1S/C21H27N3S2/c1-3-14-15(9-10-24(2)18(14)13-22)19-16-7-4-5-8-17(16)23-20(19)21-25-11-6-12-26-21/h4-5,7-8,14-15,18,21,23H,3,6,9-12H2,1-2H3/t14-,15?,18?/m1/s1
InChIKey ZKPHIUDMBXGOOL-KSTDHSDQSA-N
Molecular Weight 385.588 g/mol
SMILES [nH]1c2ccccc2c(c1C1SCCCS1)C1[C@](C(C#N)N(CC1)C)(CC)[H]
SPLASH splash10-0002-9047000000-67247cbe6f648fa5194d
Source of Spectrum F-50-6594-8
Synonyms (3R)-4-[2-(1,3-dithian-2-yl)-1H-indol-3-yl]-3-ethyl-1-methyl-2-piperidinecarbonitrile
Wiley ID 1362233