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2,5-Di-O-acetyl-3,4,6-tri-O-methyl-D-gluconitrile
SpectraBase Compound ID IcliC7oB3d3
InChI InChI=1S/C13H21NO7/c1-8(15)20-10(6-14)12(18-4)13(19-5)11(7-17-3)21-9(2)16/h10-13H,7H2,1-5H3
InChIKey NAJILUZYDGVWAZ-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C13H21NO7
Exact Mass 303.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mzEgzj15sI
Name 2,5-Di-O-acetyl-3,4,6-tri-O-methyl-D-gluconitrile
Alternate Name(s) 2,5-Di-O-acetyl-3,4,6-tri-O-methyl-D-mannonitrile (5-acetyloxy-5-cyano-1,3,4-trimethoxy-pentan-2-yl) ethanoate Acetic acid (5-acetyloxy-5-cyano-1,3,4-trimethoxypentan-2-yl) ester (5-acetyloxy-5-cyano-1,3,4-trimethoxypentan-2-yl) acetate [4-acetoxy-4-cyano-2,3-dimethoxy-1-(methoxymethyl)butyl] acetate
CAS Registry Number 35439-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO7
InChI InChI=1S/C13H21NO7/c1-8(15)20-10(6-14)12(18-4)13(19-5)11(7-17-3)21-9(2)16/h10-13H,7H2,1-5H3
InChIKey NAJILUZYDGVWAZ-UHFFFAOYSA-N
Molecular Weight 303.311 g/mol
SMILES C(C(C(C(COC)OC(=O)C)OC)OC)(OC(C)=O)C#N
SPLASH splash10-01t9-7900000000-588bad5997d780b81efd
Source of Spectrum W5-1989-36314-29222
Wiley ID 1305433