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3-(Indol-2-yl)-1-methylthio-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SpectraBase Compound ID DxzqSWHbswz
InChI InChI=1S/C20H22N2S/c1-23-20-16-10-5-3-2-4-8-14(16)12-19(22-20)18-13-15-9-6-7-11-17(15)21-18/h6-7,9,11-13,21H,2-5,8,10H2,1H3
InChIKey FVCLYOFFZSOHAM-UHFFFAOYSA-N
Mol Weight 322.47 g/mol
Molecular Formula C20H22N2S
Exact Mass 322.15037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c1dwBnZx2
Name 3-(Indol-2-yl)-1-methylthio-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
Alternate Name(s) 3-(1H-indol-2-yl)-1-(methylthio)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2S
InChI InChI=1S/C20H22N2S/c1-23-20-16-10-5-3-2-4-8-14(16)12-19(22-20)18-13-15-9-6-7-11-17(15)21-18/h6-7,9,11-13,21H,2-5,8,10H2,1H3
InChIKey FVCLYOFFZSOHAM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol052255t
Molecular Weight 322.470 g/mol
SMILES [nH]1c(cc2ccccc12)-c1nc(c2c(c1)CCCCCC2)SC
SPLASH splash10-05g0-0069000000-01e2daa5d028ac9f6418
Source of Spectrum A1-8-367/SM2-3d
Wiley ID 1760865