For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2RWoG7otPJv
Name 2,5-Di-O-acetyl-3,4,6-tri-O-methyl-D-gluconitrile
CAS Registry Number 58720-08-4
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 splash10-01tc-8900000000-86032250b20a2b4b8529
Source of Spectrum W5-1989-9451-1
Synonyms 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
Wiley ID 1305431