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2-[2-[[1-(2-benzoxyethyl)-3-ethyl-3-piperidyl]methyl]-1,3-dithian-2-yl]-1H-indole
SpectraBase Compound ID 9FAfMlkTv1b
InChI InChI=1S/C29H38N2OS2/c1-2-28(14-8-15-31(23-28)16-17-32-21-24-10-4-3-5-11-24)22-29(33-18-9-19-34-29)27-20-25-12-6-7-13-26(25)30-27/h3-7,10-13,20,30H,2,8-9,14-19,21-23H2,1H3
InChIKey WVGSUWMPCAWHLY-UHFFFAOYSA-N
Mol Weight 494.8 g/mol
Molecular Formula C29H38N2OS2
Exact Mass 494.242556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Agu3U3uZD1R
Name 2-[2-[[1-(2-benzoxyethyl)-3-ethyl-3-piperidyl]methyl]-1,3-dithian-2-yl]-1H-indole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2OS2
InChI InChI=1S/C29H38N2OS2/c1-2-28(14-8-15-31(23-28)16-17-32-21-24-10-4-3-5-11-24)22-29(33-18-9-19-34-29)27-20-25-12-6-7-13-26(25)30-27/h3-7,10-13,20,30H,2,8-9,14-19,21-23H2,1H3
InChIKey WVGSUWMPCAWHLY-UHFFFAOYSA-N
Molecular Weight 494.756 g/mol
SMILES [nH]1c2ccccc2cc1C1(SCCCS1)CC1(CN(CCOCc2ccccc2)CCC1)CC
SPLASH splash10-0002-0090000000-f6ca556e2597da19cc0b
Source of Spectrum J-61-7887-19
Synonyms 2-[2-[[1-(2-benzyloxyethyl)-3-ethyl-3-piperidyl]methyl]-1,3-dithian-2-yl]-1H-indole 2-[2-[[3-ethyl-1-(2-phenylmethoxyethyl)-3-piperidinyl]methyl]-1,3-dithian-2-yl]-1H-indole 2-[2-[[3-ethyl-1-(2-phenylmethoxyethyl)piperidin-3-yl]methyl]-1,3-dithian-2-yl]-1H-indole
Wiley ID 1397956