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2-(benzylsulfinyl)-3,4-cyclopenteno-6-phenylpyridine
SpectraBase Compound ID CZ4byyln0Cf
InChI InChI=1S/C21H19NOS/c23-24(15-16-8-3-1-4-9-16)20-14-18-12-7-13-19(18)21(22-20)17-10-5-2-6-11-17/h1-6,8-11,14H,7,12-13,15H2
InChIKey MBXHGNRIWIBWIZ-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C21H19NOS
Exact Mass 333.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJmAfTxwgYy
Name 2-(benzylsulfinyl)-3,4-cyclopenteno-6-phenylpyridine
CAS Registry Number 118459-12-4
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NOS
InChI InChI=1S/C21H19NOS/c23-24(15-16-8-3-1-4-9-16)20-14-18-12-7-13-19(18)21(22-20)17-10-5-2-6-11-17/h1-6,8-11,14H,7,12-13,15H2
InChIKey MBXHGNRIWIBWIZ-UHFFFAOYSA-N
Molecular Weight 333.449 g/mol
SMILES c1(nc(c2c(c1)CCC2)-c1ccccc1)S(Cc1ccccc1)=O
SPLASH splash10-0006-9001000000-cf255e8ffb7f4363d614
Source of Spectrum J-54-1255-27
Synonyms 3-(benzylsulfinyl)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine benzyl 1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl sulfoxide
Wiley ID 1330380