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N-[(1R,2S)-1-[1-(benzenesulfonyl)-2-indolyl]-1,3-dihydroxypropan-2-yl]carbamic acid tert-butyl ester
SpectraBase Compound ID L2saAX8oGKP
InChI InChI=1S/C22H26N2O6S/c1-22(2,3)30-21(27)23-17(14-25)20(26)19-13-15-9-7-8-12-18(15)24(19)31(28,29)16-10-5-4-6-11-16/h4-13,17,20,25-26H,14H2,1-3H3,(H,23,27)/t17-,20+/m0/s1
InChIKey AESVRDAFHVCMCR-FXAWDEMLSA-N
Mol Weight 446.52 g/mol
Molecular Formula C22H26N2O6S
Exact Mass 446.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21T4BOp0rY
Name N-[(1R,2S)-1-[1-(benzenesulfonyl)-2-indolyl]-1,3-dihydroxypropan-2-yl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(1S,2R)-2-(1-besylindol-2-yl)-2-hydroxy-1-methylol-ethyl]carbamic acid tert-butyl ester tert-Butyl N-[(1R,2S)-1,3-bis(oxidanyl)-1-[1-(phenylsulfonyl)indol-2-yl]propan-2-yl]carbamate tert-Butyl N-[(1R,2S)-1-[1-(benzenesulfonyl)indol-2-yl]-1,3-dihydroxypropan-2-yl]carbamate tert-Butyl N-[(1S,2R)-2-[1-(benzenesulfonyl)indol-2-yl]-2-hydroxy-1-(hydroxymethyl)ethyl]carbamate
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Formula C22H26N2O6S
InChI InChI=1S/C22H26N2O6S/c1-22(2,3)30-21(27)23-17(14-25)20(26)19-13-15-9-7-8-12-18(15)24(19)31(28,29)16-10-5-4-6-11-16/h4-13,17,20,25-26H,14H2,1-3H3,(H,23,27)/t17-,20+/m0/s1
InChIKey AESVRDAFHVCMCR-FXAWDEMLSA-N
Molecular Weight 446.518 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CO)([C@](c1[n](S(=O)(=O)c2ccccc2)c2c(cccc2)c1)(O)[H])[H]
SPLASH splash10-08i0-9210000000-8af43081e9c2521f0bc0
Source of Spectrum E1-41-857-16
Wiley ID 1552081