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N-[(1S,2R)-2-methyl-1-phenyl-3-(phenylthio)but-3-enyl]carbamic acid tert-butyl ester
SpectraBase Compound ID 34VjWyBXMu4
InChI InChI=1S/C22H27NO2S/c1-16(17(2)26-19-14-10-7-11-15-19)20(18-12-8-6-9-13-18)23-21(24)25-22(3,4)5/h6-16,20H,2H2,1,3-5H3,(H,23,24)/t16-,20-/m0/s1
InChIKey FLUNULCAUIRGPO-JXFKEZNVSA-N
Mol Weight 369.52 g/mol
Molecular Formula C22H27NO2S
Exact Mass 369.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Be3fECbZJFw
Name N-[(1S,2R)-2-methyl-1-phenyl-3-(phenylthio)but-3-enyl]carbamic acid tert-butyl ester
Alternate Name(s) tert-Butyl N-[(1S,2R)-2-methyl-1-phenyl-3-phenylsulfanyl-but-3-enyl]carbamate
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Formula C22H27NO2S
InChI InChI=1S/C22H27NO2S/c1-16(17(2)26-19-14-10-7-11-15-19)20(18-12-8-6-9-13-18)23-21(24)25-22(3,4)5/h6-16,20H,2H2,1,3-5H3,(H,23,24)/t16-,20-/m0/s1
InChIKey FLUNULCAUIRGPO-JXFKEZNVSA-N
Molecular Weight 369.523 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]([C@](C(Sc1ccccc1)=C)(C)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-4930000000-2e3e939ffe35aaed7139
Source of Spectrum KC-0-1521-3
Wiley ID 788144