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(4S,5R)-2,4-diphenyl-2-oxazoline-5-carbothioic acid O-phenyl ester
SpectraBase Compound ID CWEqQJDgneL
InChI InChI=1S/C22H17NO2S/c26-22(24-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)23-21(25-20)17-12-6-2-7-13-17/h1-15,19-20H/t19-,20+/m0/s1
InChIKey MTVYKCZLFVIYQL-VQTJNVASSA-N
Mol Weight 359.44 g/mol
Molecular Formula C22H17NO2S
Exact Mass 359.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4odWneAdSpl
Name (4S,5R)-2,4-diphenyl-2-oxazoline-5-carbothioic acid O-phenyl ester
Alternate Name(s) (4S,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carbothioic acid O-phenyl ester O-phenyl (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carbothioate O-phenyl (4S,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carbothioate
Comments Less than 3 mono-isotopic peaks
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Formula C22H17NO2S
InChI InChI=1S/C22H17NO2S/c26-22(24-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)23-21(25-20)17-12-6-2-7-13-17/h1-15,19-20H/t19-,20+/m0/s1
InChIKey MTVYKCZLFVIYQL-VQTJNVASSA-N
Molecular Weight 359.443 g/mol
SMILES C1(=N[C@]([C@@](O1)(C(Oc1ccccc1)=S)[H])(c1ccccc1)[H])c1ccccc1
SPLASH splash10-01ox-9005000000-9a6ee95f3c531526f398
Source of Spectrum J-62-4754-12
Wiley ID 1347840