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trans-N-Benzyl-3-ethyl-4-[2-(2-indolyl)-1,3-dithian-2-yl]piperidine
SpectraBase Compound ID AimVYK7Aa90
InChI InChI=1S/C26H32N2S2/c1-2-21-19-28(18-20-9-4-3-5-10-20)14-13-23(21)26(29-15-8-16-30-26)25-17-22-11-6-7-12-24(22)27-25/h3-7,9-12,17,21,23,27H,2,8,13-16,18-19H2,1H3/t21-,23-/m0/s1
InChIKey LPOKHXQQZNUQHB-GMAHTHKFSA-N
Mol Weight 436.7 g/mol
Molecular Formula C26H32N2S2
Exact Mass 436.200691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF8fJ6rrToW
Name trans-N-Benzyl-3-ethyl-4-[2-(2-indolyl)-1,3-dithian-2-yl]piperidine
Alternate Name(s) 2-{2-[(3R,4S)-1-benzyl-3-ethylpiperidinyl]-1,3-dithian-2-yl}-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2S2
InChI InChI=1S/C26H32N2S2/c1-2-21-19-28(18-20-9-4-3-5-10-20)14-13-23(21)26(29-15-8-16-30-26)25-17-22-11-6-7-12-24(22)27-25/h3-7,9-12,17,21,23,27H,2,8,13-16,18-19H2,1H3/t21-,23-/m0/s1
InChIKey LPOKHXQQZNUQHB-GMAHTHKFSA-N
Molecular Weight 436.676 g/mol
SMILES [nH]1c2ccccc2cc1C1([C@@]2([C@](CN(CC2)Cc2ccccc2)(CC)[H])[H])SCCCS1
SPLASH splash10-0gvo-9265100000-01ac0a824a1a90d6ddbf
Source of Spectrum F-52-3572-21
Wiley ID 795713