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2,3,4,5,6-Penta-O-acetyl-D-gluconitrile
SpectraBase Compound ID ubZCEXIwDS
InChI InChI=1S/C16H21NO10/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h13-16H,7H2,1-5H3/t13-,14-,15-,16-/m1/s1
InChIKey INCBLRCTSZYSJE-KLHDSHLOSA-N
Mol Weight 387.34 g/mol
Molecular Formula C16H21NO10
Exact Mass 387.116546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kzum4jAwlB1
Name 2,3,4,5,6-Penta-O-acetyl-D-gluconitrile
CAS Registry Number 83830-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO10
InChI InChI=1S/C16H21NO10/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h13-16H,7H2,1-5H3/t13-,14-,15-,16-/m1/s1
InChIKey INCBLRCTSZYSJE-KLHDSHLOSA-N
Molecular Weight 387.341 g/mol
SMILES [C@@]([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])([C@@](C#N)(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0006-9310000000-371020bb8fc761077d2f
Synonyms (2,3,4,5-tetraacetoxy-5-cyano-pentyl) acetate (2,3,4,5-tetraacetyloxy-5-cyano-pentyl) ethanoate (2,3,4,5-tetraacetyloxy-5-cyanopentyl) acetate Acetic acid (2,3,4,5-tetraacetoxy-5-cyano-pentyl) ester Acetic acid (2,3,4,5-tetraacetyloxy-5-cyanopentyl) ester D-Glucononitrile, 2,3,4,5,6-penta-O-acetyl-
Wiley ID 1491154