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(R)-(-)-methyl 3,4-dimethoxymandelate

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

(R)-(-)-methyl 3,4-dimethoxymandelate
SpectraBase Compound ID GDjImeFExOA
InChI InChI=1S/C11H14O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6,10,12H,1-3H3/t10-/m1/s1
InChIKey GLMSKFAHFLOMQJ-SNVBAGLBSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EmkVEoIMk17
Name (R)-(-)-methyl 3,4-dimethoxymandelate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.084123546 u
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6,10,12H,1-3H3/t10-/m1/s1
InChIKey GLMSKFAHFLOMQJ-SNVBAGLBSA-N
Molecular Weight 226.228 g/mol
SMILES C=1(C=C(OC)C(=CC1)OC)[C@](C(=O)OC)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980366