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Hexanamide, 2,3,4,5,6-pentaacetoxy-N-(4-bromophenyl)-
SpectraBase Compound ID sG2uUDtO2N
InChI InChI=1S/C22H26BrNO11/c1-11(25)31-10-18(32-12(2)26)19(33-13(3)27)20(34-14(4)28)21(35-15(5)29)22(30)24-17-8-6-16(23)7-9-17/h6-9,18-21H,10H2,1-5H3,(H,24,30)/t18-,19-,20+,21-/m0/s1
InChIKey LFUUQNYTALSILQ-BURNTYAHSA-N
Mol Weight 560.35 g/mol
Molecular Formula C22H26BrNO11
Exact Mass 559.068924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8SqAEUvq1F
Name Hexanamide, 2,3,4,5,6-pentaacetoxy-N-(4-bromophenyl)-
Alternate Name(s) Acetic acid [(2S,3S,4R,5S)-2,3,4,5-tetraacetyloxy-6-(4-bromoanilino)-6-oxohexyl] ester [(2S,3S,4R,5S)-2,3,4,5-tetraacetyloxy-6-(4-bromoanilino)-6-oxohexyl] acetate [(2S,3S,4R,5S)-2,3,4,5-tetraacetoxy-6-(4-bromoanilino)-6-oxo-hexyl] acetate [(2S,3S,4R,5S)-2,3,4,5-tetraacetyloxy-6-[(4-bromophenyl)amino]-6-oxidanylidene-hexyl] ethanoate
CAS Registry Number 289678-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26BrNO11
InChI InChI=1S/C22H26BrNO11/c1-11(25)31-10-18(32-12(2)26)19(33-13(3)27)20(34-14(4)28)21(35-15(5)29)22(30)24-17-8-6-16(23)7-9-17/h6-9,18-21H,10H2,1-5H3,(H,24,30)/t18-,19-,20+,21-/m0/s1
InChIKey LFUUQNYTALSILQ-BURNTYAHSA-N
Molecular Weight 560.350 g/mol
SMILES N(C([C@]([C@@]([C@]([C@@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])=O)c1ccc(Br)cc1
SPLASH splash10-0006-9310000000-10fa2173f64eea987c8c
Source of Spectrum AD-0-2532-0
Wiley ID 1430231