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(3R,4R)-7-((E)-Benzylidene)-3-mercapto-1,4-diphenyl-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one
SpectraBase Compound ID 7K3a1mpD3Sp
InChI InChI=1S/C27H23NOS/c29-27-26(30)24(20-12-6-2-7-13-20)23-17-16-21(18-19-10-4-1-5-11-19)25(23)28(27)22-14-8-3-9-15-22/h1-15,18,24,26,30H,16-17H2/b21-18+/t24-,26-/m1/s1
InChIKey JPSRZOQVAYMYPC-MUEFHYHUSA-N
Mol Weight 409.55 g/mol
Molecular Formula C27H23NOS
Exact Mass 409.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hDFxAIchE
Name (3R,4R)-7-((E)-Benzylidene)-3-mercapto-1,4-diphenyl-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one
Appearance Yellow powder
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Formula C27H23NOS
InChI InChI=1S/C27H23NOS/c29-27-26(30)24(20-12-6-2-7-13-20)23-17-16-21(18-19-10-4-1-5-11-19)25(23)28(27)22-14-8-3-9-15-22/h1-15,18,24,26,30H,16-17H2/b21-18+/t24-,26-/m1/s1
InChIKey JPSRZOQVAYMYPC-MUEFHYHUSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2756
Molecular Weight 409.547 g/mol
SMILES S[C@]1(C(N(C2=C(CC\C2=C\c2ccccc2)[C@]1(c1ccccc1)[H])c1ccccc1)=O)[H]
SPLASH splash10-014i-3900400000-4af0b918159d230bcd4a
Source of Spectrum Y-54-1773-7
Thin-Layer Chromatography Rf = 0.15 (pet.ether (40:60)/ethyl acetate, 8:2)
Wiley ID 1878333