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3,5,6-Tri-O-acetyl-2,4-di-O-methyl-D-mannonitrile
SpectraBase Compound ID DBBfsIm4X0s
InChI InChI=1S/C14H21NO8/c1-8(16)21-7-12(22-9(2)17)13(20-5)14(23-10(3)18)11(6-15)19-4/h11-14H,7H2,1-5H3
InChIKey QOLISSDHBRFMBQ-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 DezWbsJBS0l
Name 3,5,6-Tri-O-acetyl-2,4-di-O-methyl-D-mannonitrile
Alternate Name(s) (2,4-diacetoxy-5-cyano-3,5-dimethoxy-pentyl) acetate (2,4-diacetyloxy-5-cyano-3,5-dimethoxy-pentyl) ethanoate (2,4-diacetyloxy-5-cyano-3,5-dimethoxypentyl) acetate Acetic acid (2,4-diacetoxy-5-cyano-3,5-dimethoxy-pentyl) ester Acetic acid (2,4-diacetyloxy-5-cyano-3,5-dimethoxypentyl) ester
CAS Registry Number 59061-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO8
InChI InChI=1S/C14H21NO8/c1-8(16)21-7-12(22-9(2)17)13(20-5)14(23-10(3)18)11(6-15)19-4/h11-14H,7H2,1-5H3
InChIKey QOLISSDHBRFMBQ-UHFFFAOYSA-N
Molecular Weight 331.321 g/mol
SMILES C(C(C(C(OC(C)=O)COC(=O)C)OC)OC(C)=O)(OC)C#N
SPLASH splash10-002o-8900000000-8d55e4363dd084117380
Source of Spectrum W5-1989-9456-1
Wiley ID 1328520