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5H-Cyclohepta[c]pyridine, 6,7,8,9-tetrahydro-4-methyl-1,3-bis(methylthio)-
SpectraBase Compound ID 2IJOmPH2sGP
InChI InChI=1S/C13H19NS2/c1-9-10-7-5-4-6-8-11(10)13(16-3)14-12(9)15-2/h4-8H2,1-3H3
InChIKey AYNNZNDQJCFBMX-UHFFFAOYSA-N
Mol Weight 253.42 g/mol
Molecular Formula C13H19NS2
Exact Mass 253.095892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iIUP7YDzLD
Name 5H-Cyclohepta[c]pyridine, 6,7,8,9-tetrahydro-4-methyl-1,3-bis(methylthio)-
CAS Registry Number 128736-33-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NS2
InChI InChI=1S/C13H19NS2/c1-9-10-7-5-4-6-8-11(10)13(16-3)14-12(9)15-2/h4-8H2,1-3H3
InChIKey AYNNZNDQJCFBMX-UHFFFAOYSA-N
Molecular Weight 253.422 g/mol
SMILES c1(nc(c(c2CCCCCc12)C)SC)SC
SPLASH splash10-0udi-0090000000-7c47e814e20863bfa304
Source of Spectrum F-46-2570-4
Synonyms 1,3-bis(methylthio)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine 4-methyl-1,3-bis(methylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
Wiley ID 1256741