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E- and Z- isomers of (2S,5R)-3-ethylidene-2-phenylthio-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SpectraBase Compound ID KxHf9R0p50e
InChI InChI=1S/C13H13NO2S/c1-2-10-13(14-11(15)8-12(14)16-10)17-9-6-4-3-5-7-9/h2-7,12-13H,8H2,1H3/b10-2-/t12-,13+/m1/s1
InChIKey BPPUXIPOLHNUEO-ROEKAMGVSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNlxq3Mth8b
Name E- and Z- isomers of (2S,5R)-3-ethylidene-2-phenylthio-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
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Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-2-10-13(14-11(15)8-12(14)16-10)17-9-6-4-3-5-7-9/h2-7,12-13H,8H2,1H3/b10-2-/t12-,13+/m1/s1
InChIKey BPPUXIPOLHNUEO-ROEKAMGVSA-N
Molecular Weight 247.312 g/mol
SMILES [C@@]1(N2[C@](O\C1=C\C)(CC2=O)[H])(Sc1ccccc1)[H]
SPLASH splash10-0002-9200000000-6e2da359b570a7b48ff8
Source of Spectrum KC-1982-1515-0
Synonyms (2S,3Z,5R)-3-ethylidene-2-(phenylsulfanyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
Wiley ID 1249895