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N-[(1S)-1-(1-acetyl-5-bromo-3-indolyl)-2-hydroxyethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID 58nOPp0QRBb
InChI InChI=1S/C17H21BrN2O4/c1-10(22)20-8-13(12-7-11(18)5-6-15(12)20)14(9-21)19-16(23)24-17(2,3)4/h5-8,14,21H,9H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKey KVBBSXCISMWOOG-CQSZACIVSA-N
Mol Weight 397.27 g/mol
Molecular Formula C17H21BrN2O4
Exact Mass 396.06847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGRc6jSPkm4
Name N-[(1S)-1-(1-acetyl-5-bromo-3-indolyl)-2-hydroxyethyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(1S)-1-(1-acetyl-5-bromo-indol-3-yl)-2-hydroxy-ethyl]carbamic acid tert-butyl ester tert-Butyl N-[(1S)-1-(1-acetyl-5-bromo-indol-3-yl)-2-hydroxy-ethyl]carbamate tert-Butyl N-[(1S)-1-(5-bromanyl-1-ethanoyl-indol-3-yl)-2-oxidanyl-ethyl]carbamate
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Formula C17H21BrN2O4
InChI InChI=1S/C17H21BrN2O4/c1-10(22)20-8-13(12-7-11(18)5-6-15(12)20)14(9-21)19-16(23)24-17(2,3)4/h5-8,14,21H,9H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKey KVBBSXCISMWOOG-CQSZACIVSA-N
Molecular Weight 397.269 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](CO)(c1c[n](c2c1cc(cc2)Br)C(=O)C)[H]
SPLASH splash10-07vi-1059000000-857ee666cd979c549b1d
Source of Spectrum C5-2004-2469-1
Wiley ID 1617389