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3,4,5-Tri-O-acetyl-2,6-di-O-methyl-D-mannonitrile
SpectraBase Compound ID FM0MEGUOaXq
InChI InChI=1S/C14H21NO8/c1-8(16)21-12(7-19-4)14(23-10(3)18)13(22-9(2)17)11(6-15)20-5/h11-14H,7H2,1-5H3
InChIKey SKFGIRGEEGZMEU-UHFFFAOYSA-N
Mol Weight 331.32 g/mol
Molecular Formula C14H21NO8
Exact Mass 331.126717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Qtao0zZPJn
Name 3,4,5-Tri-O-acetyl-2,6-di-O-methyl-D-mannonitrile
CAS Registry Number 59103-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO8
InChI InChI=1S/C14H21NO8/c1-8(16)21-12(7-19-4)14(23-10(3)18)13(22-9(2)17)11(6-15)20-5/h11-14H,7H2,1-5H3
InChIKey SKFGIRGEEGZMEU-UHFFFAOYSA-N
Molecular Weight 331.321 g/mol
SMILES C(C(C(C(COC)OC(=O)C)OC(C)=O)OC(C)=O)(C#N)OC
SPLASH splash10-0006-9500000000-ac60a982938e0e6fe768
Source of Spectrum W5-1989-9453-1
Synonyms (3,4-diacetyloxy-5-cyano-1,5-dimethoxy-pentan-2-yl) ethanoate (3,4-diacetyloxy-5-cyano-1,5-dimethoxypentan-2-yl) acetate Acetic acid (3,4-diacetyloxy-5-cyano-1,5-dimethoxypentan-2-yl) ester [2,3-diacetoxy-4-cyano-4-methoxy-1-(methoxymethyl)butyl] acetate
Wiley ID 1328524