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2,5,6-Tri-O-acetyl-3,4-di-O-methyl-D-mannonitrile
SpectraBase Compound ID 4jhu9ruaa6V
InChI InChI=1S/C14H21NO8/c1-8(16)21-7-12(23-10(3)18)14(20-5)13(19-4)11(6-15)22-9(2)17/h11-14H,7H2,1-5H3
InChIKey OFTDCWIDDGNIIC-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 Ewk8Xx6EX05
Name 2,5,6-Tri-O-acetyl-3,4-di-O-methyl-D-mannonitrile
CAS Registry Number 59061-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO8
InChI InChI=1S/C14H21NO8/c1-8(16)21-7-12(23-10(3)18)14(20-5)13(19-4)11(6-15)22-9(2)17/h11-14H,7H2,1-5H3
InChIKey OFTDCWIDDGNIIC-UHFFFAOYSA-N
Molecular Weight 331.321 g/mol
SMILES C(C(C(C(OC(=O)C)COC(C)=O)OC)OC)(OC(C)=O)C#N
SPLASH splash10-004u-9800000000-eeb48e305da4b3ec4866
Source of Spectrum W5-1989-9458-1
Synonyms (2,5-diacetoxy-5-cyano-3,4-dimethoxy-pentyl) acetate (2,5-diacetyloxy-5-cyano-3,4-dimethoxy-pentyl) ethanoate (2,5-diacetyloxy-5-cyano-3,4-dimethoxypentyl) acetate Acetic acid (2,5-diacetoxy-5-cyano-3,4-dimethoxy-pentyl) ester Acetic acid (2,5-diacetyloxy-5-cyano-3,4-dimethoxypentyl) ester
Wiley ID 1328521