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Ethyl 2-O-benzoyl-3,4,5-trideoxy-L-glycero-hexuronate
SpectraBase Compound ID HJVP3wPvnVO
InChI InChI=1S/C15H18O5/c1-2-19-14(17)10-6-9-13(11-16)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3/t13-/m0/s1
InChIKey GNGWLCLWAZJBBV-ZDUSSCGKSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EB5SgjSfHbH
Name Ethyl 2-O-benzoyl-3,4,5-trideoxy-L-glycero-hexuronate
CAS Registry Number 82493-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-2-19-14(17)10-6-9-13(11-16)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3/t13-/m0/s1
InChIKey GNGWLCLWAZJBBV-ZDUSSCGKSA-N
Molecular Weight 278.304 g/mol
SMILES C(O[C@](C=O)(CCCC(=O)OCC)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-2c1c62c18157d89e630b
Source of Spectrum J-53-835-14
Synonyms (1S)-5-ethoxy-1-formyl-5-oxopentyl benzoate Ethyl 5(S)-benzoyloxy)-5-formylpentanoate benzoic acid [(2S)-6-ethoxy-1,6-dioxohexan-2-yl] ester [(2S)-6-ethoxy-1,6-dioxohexan-2-yl] benzoate [(1S)-5-ethoxy-1-formyl-5-oxo-pentyl] benzoate [(2S)-6-ethoxy-1,6-bis(oxidanylidene)hexan-2-yl] benzoate
Wiley ID 1281889