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methyl (2R,3S)-3-[2-[benzyl(p-tolylsulfonyl)amino]ethyl]oxirane-2-carboxylate
SpectraBase Compound ID CknmDbZCjVm
InChI InChI=1S/C20H23NO5S/c1-15-8-10-17(11-9-15)27(23,24)21(14-16-6-4-3-5-7-16)13-12-18-19(26-18)20(22)25-2/h3-11,18-19H,12-14H2,1-2H3/t18-,19+/m0/s1
InChIKey NICWLCNGAWCXNF-RBUKOAKNSA-N
Mol Weight 389.47 g/mol
Molecular Formula C20H23NO5S
Exact Mass 389.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61HVpQg3ofO
Name methyl (2R,3S)-3-[2-[benzyl(p-tolylsulfonyl)amino]ethyl]oxirane-2-carboxylate
Appearance Colorless liquid
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Formula C20H23NO5S
InChI InChI=1S/C20H23NO5S/c1-15-8-10-17(11-9-15)27(23,24)21(14-16-6-4-3-5-7-16)13-12-18-19(26-18)20(22)25-2/h3-11,18-19H,12-14H2,1-2H3/t18-,19+/m0/s1
InChIKey NICWLCNGAWCXNF-RBUKOAKNSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.b18
Molecular Weight 389.466 g/mol
Optical Rotation [a]D25 = -23.34 (c = 1.5, CH2Cl2)
SMILES C(N(CC[C@]1([C@](C(OC)=O)(O1)[H])[H])S(c1ccc(cc1)C)(=O)=O)c1ccccc1
SPLASH splash10-0006-9020000000-936b706e37768e8423dd
Sample Comments 98% ee
Source of Spectrum ARK-2005-215-9
Wiley ID 1870891