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2,4,5-tri-o-Acetyl-3-o-methyl-6-deoxy-D-gluconitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

2,4,5-tri-o-Acetyl-3-o-methyl-6-deoxy-D-gluconitrile
SpectraBase Compound ID CMgKFszhI8x
InChI InChI=1S/C13H19NO7/c1-7(19-8(2)15)12(21-10(4)17)13(18-5)11(6-14)20-9(3)16/h7,11-13H,1-5H3
InChIKey WTGKWIUZWOIGKH-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C13H19NO7
Exact Mass 301.116152 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D9HBIMMB2Zh
Name 2,4,5-tri-o-Acetyl-3-o-methyl-6-deoxy-D-gluconitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.116151949 u
Formula C13H19NO7
InChI InChI=1S/C13H19NO7/c1-7(19-8(2)15)12(21-10(4)17)13(18-5)11(6-14)20-9(3)16/h7,11-13H,1-5H3
InChIKey WTGKWIUZWOIGKH-UHFFFAOYSA-N
SMILES C(C(C(C(C)OC(C)=O)OC(C)=O)OC)(OC(C)=O)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880737