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5,6-Di-O-acetyl-2,3,4-tri-O-methyl-D-gluconitrile
SpectraBase Compound ID LCDu3TAWgsW
InChI InChI=1S/C13H21NO7/c1-8(15)20-7-11(21-9(2)16)13(19-5)12(18-4)10(6-14)17-3/h10-13H,7H2,1-5H3
InChIKey DWQPSNCUJNWYBT-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 8rsowheK9Qn
Name 5,6-Di-O-acetyl-2,3,4-tri-O-methyl-D-gluconitrile
CAS Registry Number 59061-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO7
InChI InChI=1S/C13H21NO7/c1-8(15)20-7-11(21-9(2)16)13(19-5)12(18-4)10(6-14)17-3/h10-13H,7H2,1-5H3
InChIKey DWQPSNCUJNWYBT-UHFFFAOYSA-N
Molecular Weight 303.311 g/mol
SMILES C(C(C(C(COC(C)=O)OC(=O)C)OC)OC)(OC)C#N
SPLASH splash10-002u-9500000000-1357fb45b5e6368a62a1
Source of Spectrum W5-1989-9450-1
Synonyms 5,6-Di-O-acetyl-2,3,4-tri-O-methyl-D-mannonitrile (2-acetoxy-5-cyano-3,4,5-trimethoxy-pentyl) acetate (2-acetyloxy-5-cyano-3,4,5-trimethoxy-pentyl) ethanoate (2-acetyloxy-5-cyano-3,4,5-trimethoxypentyl) acetate Acetic acid (2-acetoxy-5-cyano-3,4,5-trimethoxy-pentyl) ester Acetic acid (2-acetyloxy-5-cyano-3,4,5-trimethoxypentyl) ester
Wiley ID 1305429