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.alpha.-DL-Galactopyranoside, methyl 3-(benzoylamino)-2-bromo-2,3,6-trideoxy-, 4-benzoate
SpectraBase Compound ID Cpwl7gGbteT
InChI InChI=1S/C21H22BrNO5/c1-13-18(28-20(25)15-11-7-4-8-12-15)17(16(22)21(26-2)27-13)23-19(24)14-9-5-3-6-10-14/h3-13,16-18,21H,1-2H3,(H,23,24)/t13-,16-,17-,18+,21+/m1/s1
InChIKey ZONITDAZCQEZAK-HCUGBHTRSA-N
Mol Weight 448.31 g/mol
Molecular Formula C21H22BrNO5
Exact Mass 447.068136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ig74h8BbjOo
Name .alpha.-DL-Galactopyranoside, methyl 3-(benzoylamino)-2-bromo-2,3,6-trideoxy-, 4-benzoate
CAS Registry Number 97327-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO5
InChI InChI=1S/C21H22BrNO5/c1-13-18(28-20(25)15-11-7-4-8-12-15)17(16(22)21(26-2)27-13)23-19(24)14-9-5-3-6-10-14/h3-13,16-18,21H,1-2H3,(H,23,24)/t13-,16-,17-,18+,21+/m1/s1
InChIKey ZONITDAZCQEZAK-HCUGBHTRSA-N
Molecular Weight 448.313 g/mol
SMILES N([C@]1([C@@](OC(=O)c2ccccc2)([C@@](C)(O[C@@]([C@@]1(Br)[H])(OC)[H])[H])[H])[H])C(=O)c1ccccc1
SPLASH splash10-0a4i-0911000000-484629786ec03439eecd
Source of Spectrum KC-1988-121-42
Synonyms Methyl 3-benzamido-4-O-benzoyl-2-bromo-2,3,6-trideoxy-.alpha.-DL-galactopyranoside Methyl 4-O-benzoyl-3-(benzoylamino)-2-bromo-2,3,6-trideoxy-.alpha.-D-galactopyranoside
Wiley ID 1386892