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(2R,3S)-3-benzamido-2-benzoxy-3-phenyl-propanethioic acid S-tert-butyl ester
SpectraBase Compound ID HrnyWZNLm8D
InChI InChI=1S/C27H29NO3S/c1-27(2,3)32-26(30)24(31-19-20-13-7-4-8-14-20)23(21-15-9-5-10-16-21)28-25(29)22-17-11-6-12-18-22/h4-18,23-24H,19H2,1-3H3,(H,28,29)/t23-,24+/m0/s1
InChIKey HGOYVWAYLJITBB-BJKOFHAPSA-N
Mol Weight 447.59 g/mol
Molecular Formula C27H29NO3S
Exact Mass 447.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbhTG4Fmatf
Name (2R,3S)-3-benzamido-2-benzoxy-3-phenyl-propanethioic acid S-tert-butyl ester
Alternate Name(s) (2R,3S)-3-benzamido-3-phenyl-2-phenylmethoxypropanethioic acid S-tert-butyl ester S-tert-butyl (2R,3S)-3-benzamido-2-benzyloxy-3-phenyl-propanethioate S-tert-butyl (2R,3S)-3-benzamido-3-phenyl-2-phenylmethoxy-propanethioate
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Formula C27H29NO3S
InChI InChI=1S/C27H29NO3S/c1-27(2,3)32-26(30)24(31-19-20-13-7-4-8-14-20)23(21-15-9-5-10-16-21)28-25(29)22-17-11-6-12-18-22/h4-18,23-24H,19H2,1-3H3,(H,28,29)/t23-,24+/m0/s1
InChIKey HGOYVWAYLJITBB-BJKOFHAPSA-N
Molecular Weight 447.593 g/mol
SMILES N([C@]([C@](C(SC(C)(C)C)=O)(OCc1ccccc1)[H])(c1ccccc1)[H])C(=O)c1ccccc1
SPLASH splash10-0a4l-9510000000-a4c67419df28186c83c3
Source of Spectrum F-49-8331-19
Wiley ID 788379