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dl-Xylo-hexonic acid, 4,5-anhydro-2,6-dideoxy-3-C-methyl-, ethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

dl-Xylo-hexonic acid, 4,5-anhydro-2,6-dideoxy-3-C-methyl-, ethyl ester
SpectraBase Compound ID 6ThUvLuopSW
InChI InChI=1S/C9H16O4/c1-4-12-7(10)5-9(3,11)8-6(2)13-8/h6,8,11H,4-5H2,1-3H3
InChIKey AJACAGXBNKMWPV-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JVBf5saEJvb
Name dl-Xylo-hexonic acid, 4,5-anhydro-2,6-dideoxy-3-C-methyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.104858991 u
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-4-12-7(10)5-9(3,11)8-6(2)13-8/h6,8,11H,4-5H2,1-3H3
InChIKey AJACAGXBNKMWPV-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES C1(OC1C)C(CC(=O)OCC)(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88615