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3,5-Di-O-acetyl-4-(acetylamino)-1,6-anhydro-4-deoxyhex-2-ulose
SpectraBase Compound ID KeSogjbJ4Db
InChI InChI=1S/C12H17NO7/c1-6(14)13-11-10(19-7(2)15)5-18-4-9(17)12(11)20-8(3)16/h10-12H,4-5H2,1-3H3,(H,13,14)
InChIKey CBQOXMKDPFGFBP-UHFFFAOYSA-N
Mol Weight 287.27 g/mol
Molecular Formula C12H17NO7
Exact Mass 287.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5rXsvTR6sp
Name 3,5-Di-O-acetyl-4-(acetylamino)-1,6-anhydro-4-deoxyhex-2-ulose
CAS Registry Number 80970-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO7
InChI InChI=1S/C12H17NO7/c1-6(14)13-11-10(19-7(2)15)5-18-4-9(17)12(11)20-8(3)16/h10-12H,4-5H2,1-3H3,(H,13,14)
InChIKey CBQOXMKDPFGFBP-UHFFFAOYSA-N
Molecular Weight 287.268 g/mol
SMILES N(C(=O)C)C1C(COCC(=O)C1OC(=O)C)OC(C)=O
SPLASH splash10-0f76-8940000000-90b401dfd02520453c74
Source of Spectrum W5-1989-37013-28523
Synonyms (4-acetamido-5-acetoxy-6-oxo-oxepan-3-yl) acetate (4-acetamido-5-acetyloxy-6-oxidanylidene-oxepan-3-yl) ethanoate (4-acetamido-5-acetyloxy-6-oxooxepan-3-yl) acetate 1:6-Anhydro-2,4-di-O-acetyl-3-acetamido-3-deoxy-D-altrosane Acetic acid (4-acetamido-5-acetoxy-6-keto-oxepan-3-yl) ester Acetic acid (4-acetamido-5-acetyloxy-6-oxo-3-oxepanyl) ester
Wiley ID 1290629