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3-(Indol-2-yl)-1-methylthio-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
SpectraBase Compound ID 5l8NwgtsFPg
InChI InChI=1S/C19H20N2S/c1-22-19-15-9-4-2-3-7-13(15)11-18(21-19)17-12-14-8-5-6-10-16(14)20-17/h5-6,8,10-12,20H,2-4,7,9H2,1H3
InChIKey KWDGWQXRCMBTJD-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C19H20N2S
Exact Mass 308.13472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bjr5DCVX3Z2
Name 3-(Indol-2-yl)-1-methylthio-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2S
InChI InChI=1S/C19H20N2S/c1-22-19-15-9-4-2-3-7-13(15)11-18(21-19)17-12-14-8-5-6-10-16(14)20-17/h5-6,8,10-12,20H,2-4,7,9H2,1H3
InChIKey KWDGWQXRCMBTJD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol052255t
Molecular Weight 308.443 g/mol
SMILES [nH]1c(cc2ccccc12)-c1cc2c(c(n1)SC)CCCCC2
SPLASH splash10-056r-0193000000-dffc6cd23a4fe7b08809
Source of Spectrum A1-8-367/SM2-3c
Synonyms 3-(1H-indol-2-yl)-1-(methylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
Wiley ID 1760864