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Benzeneacetic acid, 3,4-bis(acetyloxy)-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Benzeneacetic acid, 3,4-bis(acetyloxy)-, methyl ester
SpectraBase Compound ID CoUKNFSPehL
InChI InChI=1S/C13H14O6/c1-8(14)18-11-5-4-10(7-13(16)17-3)6-12(11)19-9(2)15/h4-6H,7H2,1-3H3
InChIKey AUDYUOBTVAKTHH-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C13H14O6
Exact Mass 266.079038 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2wlvErEh0qD
Name Benzeneacetic acid, 3,4-bis(acetyloxy)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.079038165 u
Formula C13H14O6
InChI InChI=1S/C13H14O6/c1-8(14)18-11-5-4-10(7-13(16)17-3)6-12(11)19-9(2)15/h4-6H,7H2,1-3H3
InChIKey AUDYUOBTVAKTHH-UHFFFAOYSA-N
Molecular Weight 266.249 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C)CC(OC)=O)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976009