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3-Methyl-4-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SpectraBase Compound ID 9Wz1fgJXuyD
InChI InChI=1S/C16H17NS/c1-12-16(15-9-5-8-14(15)10-17-12)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKey JDEMFMUPJJWOQO-UHFFFAOYSA-N
Mol Weight 255.38 g/mol
Molecular Formula C16H17NS
Exact Mass 255.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sg8zJng2wH
Name 3-Methyl-4-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CAS Registry Number 99702-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NS
InChI InChI=1S/C16H17NS/c1-12-16(15-9-5-8-14(15)10-17-12)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKey JDEMFMUPJJWOQO-UHFFFAOYSA-N
Molecular Weight 255.379 g/mol
SMILES c1(c2c(CCC2)cnc1C)SCc1ccccc1
SPLASH splash10-05nf-9110000000-14040b440c5c3b10ac08
Source of Spectrum J-54-1254-6
Synonyms 3-Methyl-4-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[c]pyridine 4-(benzylthio)-3-methyl-2-pyrindan
Wiley ID 1258976