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4,5-Di-O-acetyl-2,3,6-tri-O-methyl-D-mannonitrile
SpectraBase Compound ID 6DisifSrqG6
InChI InChI=1S/C13H21NO7/c1-8(15)20-11(7-17-3)13(21-9(2)16)12(19-5)10(6-14)18-4/h10-13H,7H2,1-5H3
InChIKey ZRJVYQQKDYYEET-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 45pj9cvdoPQ
Name 4,5-Di-O-acetyl-2,3,6-tri-O-methyl-D-mannonitrile
CAS Registry Number 59061-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO7
InChI InChI=1S/C13H21NO7/c1-8(15)20-11(7-17-3)13(21-9(2)16)12(19-5)10(6-14)18-4/h10-13H,7H2,1-5H3
InChIKey ZRJVYQQKDYYEET-UHFFFAOYSA-N
Molecular Weight 303.311 g/mol
SMILES C(C(C(C(COC)OC(=O)C)OC(=O)C)OC)(C#N)OC
SPLASH splash10-01p7-9500000000-44374b4fcbfac08583bf
Source of Spectrum W5-1989-9452-1
Synonyms (3-acetyloxy-5-cyano-1,4,5-trimethoxy-pentan-2-yl) ethanoate Acetic acid (3-acetyloxy-5-cyano-1,4,5-trimethoxypentan-2-yl) ester (3-acetyloxy-5-cyano-1,4,5-trimethoxypentan-2-yl) acetate [2-acetoxy-4-cyano-3,4-dimethoxy-1-(methoxymethyl)butyl] acetate
Wiley ID 1305428