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trans-N-Benzyl-3-ethyl-4-[2-(2-indolyl)-1,3-dithian-2-yl]piperidin-2-one
SpectraBase Compound ID 8bTd4OMUfXP
InChI InChI=1S/C26H30N2OS2/c1-2-21-22(13-14-28(25(21)29)18-19-9-4-3-5-10-19)26(30-15-8-16-31-26)24-17-20-11-6-7-12-23(20)27-24/h3-7,9-12,17,21-22,27H,2,8,13-16,18H2,1H3/t21-,22+/m1/s1
InChIKey WATOAEUOPZBESS-YADHBBJMSA-N
Mol Weight 450.66 g/mol
Molecular Formula C26H30N2OS2
Exact Mass 450.179956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55eoEjM30CM
Name trans-N-Benzyl-3-ethyl-4-[2-(2-indolyl)-1,3-dithian-2-yl]piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2OS2
InChI InChI=1S/C26H30N2OS2/c1-2-21-22(13-14-28(25(21)29)18-19-9-4-3-5-10-19)26(30-15-8-16-31-26)24-17-20-11-6-7-12-23(20)27-24/h3-7,9-12,17,21-22,27H,2,8,13-16,18H2,1H3/t21-,22+/m1/s1
InChIKey WATOAEUOPZBESS-YADHBBJMSA-N
Molecular Weight 450.659 g/mol
SMILES [nH]1c2ccccc2cc1C1([C@@]2([C@](C(=O)N(CC2)Cc2ccccc2)(CC)[H])[H])SCCCS1
SPLASH splash10-001i-2190000000-48f23ab5ff894bf7c05e
Source of Spectrum F-52-3572-15
Synonyms (3R,4S)-1-benzyl-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-2-piperidinone
Wiley ID 795719