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Benzothiepino[4,5-c]pyridine, 5,6-dihydro-9-methyl-2,4-bis(methylthio)-
SpectraBase Compound ID FUwS7DkKXTX
InChI InChI=1S/C16H17NS3/c1-10-4-5-11-13-9-15(18-2)17-16(19-3)12(13)6-7-20-14(11)8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKey ZIEXHBJRFDIUER-UHFFFAOYSA-N
Mol Weight 319.5 g/mol
Molecular Formula C16H17NS3
Exact Mass 319.052313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WULimvaBeP
Name Benzothiepino[4,5-c]pyridine, 5,6-dihydro-9-methyl-2,4-bis(methylthio)-
CAS Registry Number 122913-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NS3
InChI InChI=1S/C16H17NS3/c1-10-4-5-11-13-9-15(18-2)17-16(19-3)12(13)6-7-20-14(11)8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKey ZIEXHBJRFDIUER-UHFFFAOYSA-N
Molecular Weight 319.499 g/mol
SMILES c12-c3c(SCCc1c(SC)nc(c2)SC)cc(cc3)C
SPLASH splash10-0fri-0059000000-8c711d836e323351629a
Source of Spectrum F-46-2569-3
Synonyms 2,4-bis(methylthio)5,6-dihydro-9-methylbenzothiepino[4,5-c][1]pyridine 9-Methyl-2,4-bis(methylsulfanyl)-5,6-dihydro[1]benzothiepino[4,5-c]pyridine
Wiley ID 1319278