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Ethyl 3,4-dimethoxymandelate

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

Ethyl 3,4-dimethoxymandelate
SpectraBase Compound ID 6PVwzwtWSxV
InChI InChI=1S/C12H16O5/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7,11,13H,4H2,1-3H3
InChIKey TXKORQPSJUQGFY-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9pHD8ymAFd8
Name Ethyl 3,4-dimethoxymandelate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.099773610 u
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7,11,13H,4H2,1-3H3
InChIKey TXKORQPSJUQGFY-UHFFFAOYSA-N
Molecular Weight 240.255 g/mol
SMILES C(C(O)C=1C=C(C(=CC1)OC)OC)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958821