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2-(2-Oxo-2-phenyl-ethylsulfanyl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 25Ho0Vcvz9y
InChI InChI=1S/C20H20N2OS/c21-13-17-12-16-10-4-1-2-7-11-18(16)22-20(17)24-14-19(23)15-8-5-3-6-9-15/h3,5-6,8-9,12H,1-2,4,7,10-11,14H2
InChIKey DSFFNHAYIKNYBP-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C20H20N2OS
Exact Mass 336.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5ZpZgWdZVi
Name 2-(2-Oxo-2-phenyl-ethylsulfanyl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2OS
InChI InChI=1S/C20H20N2OS/c21-13-17-12-16-10-4-1-2-7-11-18(16)22-20(17)24-14-19(23)15-8-5-3-6-9-15/h3,5-6,8-9,12H,1-2,4,7,10-11,14H2
InChIKey DSFFNHAYIKNYBP-UHFFFAOYSA-N
Molecular Weight 336.453 g/mol
SMILES C1CCCc2nc(c(C#N)cc2CC1)SCC(=O)c1ccccc1
SPLASH splash10-0a5i-5985000000-55d586bedb65d74982fa
Synonyms 2-(Phenacylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 2-Phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Wiley ID 1454017