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3,5-Di-O-acetyl-2,4,6-tri-O-methyl-d-gluconitrile
SpectraBase Compound ID 9yEyHMWuoWV
InChI InChI=1S/C13H21NO7/c1-8(15)20-11(7-17-3)12(19-5)13(21-9(2)16)10(6-14)18-4/h10-13H,7H2,1-5H3
InChIKey DHNOKKSLJHVNRR-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 AZnt5vUSlqE
Name 3,5-Di-O-acetyl-2,4,6-tri-O-methyl-d-gluconitrile
Alternate Name(s) 3,5-Di-O-acetyl-2,4,6-tri-O-methyl-D-mannonitrile (4-acetyloxy-5-cyano-1,3,5-trimethoxy-pentan-2-yl) ethanoate (4-acetyloxy-5-cyano-1,3,5-trimethoxypentan-2-yl) acetate Acetic acid (4-acetyloxy-5-cyano-1,3,5-trimethoxypentan-2-yl) ester [3-acetoxy-4-cyano-2,4-dimethoxy-1-(methoxymethyl)butyl] acetate
CAS Registry Number 58720-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO7
InChI InChI=1S/C13H21NO7/c1-8(15)20-11(7-17-3)12(19-5)13(21-9(2)16)10(6-14)18-4/h10-13H,7H2,1-5H3
InChIKey DHNOKKSLJHVNRR-UHFFFAOYSA-N
Molecular Weight 303.311 g/mol
SMILES C(C(C(C(COC)OC(C)=O)OC)OC(C)=O)(OC)C#N
SPLASH splash10-0gxy-6900000000-9194c7b3e544d8ad06a5
Source of Spectrum W5-1989-9449-1
Wiley ID 1305430