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(1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)-1-butanesulfonic acid
SpectraBase Compound ID 6LHyreFei9D
InChI InChI=1S/C21H27NO5S/c1-16(2)27-28(24,25)20(19-12-8-5-9-13-19)14-17(3)22-21(23)26-15-18-10-6-4-7-11-18/h4-13,16-17,20H,14-15H2,1-3H3,(H,22,23)/t17-,20+/m0/s1
InChIKey JHWIWBBAXIMDFE-FXAWDEMLSA-N
Mol Weight 405.51 g/mol
Molecular Formula C21H27NO5S
Exact Mass 405.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO5HEexDzzd
Name (1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)-1-butanesulfonic acid
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Formula C21H27NO5S
InChI InChI=1S/C21H27NO5S/c1-16(2)27-28(24,25)20(19-12-8-5-9-13-19)14-17(3)22-21(23)26-15-18-10-6-4-7-11-18/h4-13,16-17,20H,14-15H2,1-3H3,(H,22,23)/t17-,20+/m0/s1
InChIKey JHWIWBBAXIMDFE-FXAWDEMLSA-N
Molecular Weight 405.509 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C[C@@](S(OC(C)C)(=O)=O)(c1ccccc1)[H])(C)[H]
SPLASH splash10-0006-9500000000-7d7e0519b34df15ffc8a
Source of Spectrum C5-2004-2917-7
Synonyms (1R,3S)-3-(benzyloxycarbonylamino)-1-phenyl-butane-1-sulfonic acid isopropyl ester isopropyl (1R,3S)-3-(benzyloxycarbonylamino)-1-phenyl-butane-1-sulfonate Propan-2-yl (1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)butane-1-sulfonate
Wiley ID 1617589