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Diglycolic acid, 2-acetylphenyl propyl ester

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

Diglycolic acid, 2-acetylphenyl propyl ester
SpectraBase Compound ID 50CKxv5iHhV
InChI InChI=1S/C15H18O6/c1-3-8-20-14(17)9-19-10-15(18)21-13-7-5-4-6-12(13)11(2)16/h4-7H,3,8-10H2,1-2H3
InChIKey ATXHVBGZXIEPKC-UHFFFAOYSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5MDXQIhrGfU
Name Diglycolic acid, 2-acetylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.110338294 u
Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-3-8-20-14(17)9-19-10-15(18)21-13-7-5-4-6-12(13)11(2)16/h4-7H,3,8-10H2,1-2H3
InChIKey ATXHVBGZXIEPKC-UHFFFAOYSA-N
SMILES C(COCC(=O)OCCC)(=O)OC1=C(C=CC=C1)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952374