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2-Benzyloxy-3-hydroxysuccinic acid, dimethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

2-Benzyloxy-3-hydroxysuccinic acid, dimethyl ester
SpectraBase Compound ID 5CH4njBGWIP
InChI InChI=1S/C13H16O6/c1-17-12(15)10(14)11(13(16)18-2)19-8-9-6-4-3-5-7-9/h3-7,10-11,14H,8H2,1-2H3
InChIKey SCBLIMPSEZFVNJ-UHFFFAOYSA-N
Mol Weight 268.26 g/mol
Molecular Formula C13H16O6
Exact Mass 268.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CnptTdj8e3L
Name 2-Benzyloxy-3-hydroxysuccinic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.094688229 u
Formula C13H16O6
InChI InChI=1S/C13H16O6/c1-17-12(15)10(14)11(13(16)18-2)19-8-9-6-4-3-5-7-9/h3-7,10-11,14H,8H2,1-2H3
InChIKey SCBLIMPSEZFVNJ-UHFFFAOYSA-N
SMILES C(=O)(OC)C(OCC1=CC=CC=C1)C(C(=O)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920805