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1-Benzyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]pipecolinonitrile
SpectraBase Compound ID EuQjrXDrfZ3
InChI InChI=1S/C25H27N3S2/c26-17-22-16-21(11-12-28(22)18-19-7-2-1-3-8-19)25(29-13-6-14-30-25)24-15-20-9-4-5-10-23(20)27-24/h1-5,7-10,15,21-22,27H,6,11-14,16,18H2
InChIKey KFZMHWFZFVSLMP-UHFFFAOYSA-N
Mol Weight 433.63 g/mol
Molecular Formula C25H27N3S2
Exact Mass 433.16464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yzHL8lxFHg
Name 1-Benzyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]pipecolinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3S2
InChI InChI=1S/C25H27N3S2/c26-17-22-16-21(11-12-28(22)18-19-7-2-1-3-8-19)25(29-13-6-14-30-25)24-15-20-9-4-5-10-23(20)27-24/h1-5,7-10,15,21-22,27H,6,11-14,16,18H2
InChIKey KFZMHWFZFVSLMP-UHFFFAOYSA-N
Molecular Weight 433.632 g/mol
SMILES [nH]1c2ccccc2cc1C1(C2CC(C#N)N(CC2)Cc2ccccc2)SCCCS1
SPLASH splash10-00dl-7900100000-49f3377edf8e1ab8fce1
Source of Spectrum F-50-6598-18
Synonyms 1-Benzyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]piperidine-2-carbonitrile 4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-(phenylmethyl)-2-piperidinecarbonitrile 4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-(phenylmethyl)piperidine-2-carbonitrile
Wiley ID 1382699