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(3aR,4S,6aS)-exo-4-Phenylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-6(4H)-one
SpectraBase Compound ID 3OK0p70ROGg
InChI InChI=1S/C17H13NO3S/c19-16-15-13(14(18-21-15)11-7-3-1-4-8-11)17(20-16)22-12-9-5-2-6-10-12/h1-10,13,15,17H/t13-,15+,17+/m1/s1
InChIKey YJCMEJMGUMNNKX-KMFMINBZSA-N
Mol Weight 311.36 g/mol
Molecular Formula C17H13NO3S
Exact Mass 311.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oXLFhgUWL4
Name (3aR,4S,6aS)-exo-4-Phenylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-6(4H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H13NO3S
InChI InChI=1S/C17H13NO3S/c19-16-15-13(14(18-21-15)11-7-3-1-4-8-11)17(20-16)22-12-9-5-2-6-10-12/h1-10,13,15,17H/t13-,15+,17+/m1/s1
InChIKey YJCMEJMGUMNNKX-KMFMINBZSA-N
Molecular Weight 311.355 g/mol
SMILES [C@@]12([C@@](C(=O)O[C@]2(Sc2ccccc2)[H])(ON=C1c1ccccc1)[H])[H]
SPLASH splash10-0a4i-0900000000-0ecc631e5e75882ce1d6
Source of Spectrum F-52-3466-16
Synonyms (3aR,4S,6aS)-3-phenyl-4-(phenylsulfanyl)-3a,6a-dihydrofuro[3,4-d]isoxazol-6(4H)-one exo-4-Phenylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
Wiley ID 795757