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Benzene-1,4-diacetic acid, di-acetic anhydride

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Benzene-1,4-diacetic acid, di-acetic anhydride
SpectraBase Compound ID EmhUlkIGg5N
InChI InChI=1S/C12H10O6/c1-7(13)17-11(15)9-3-5-10(6-4-9)12(16)18-8(2)14/h3-6H,1-2H3
InChIKey PQLRICLKWPLTNQ-UHFFFAOYSA-N
Mol Weight 250.21 g/mol
Molecular Formula C12H10O6
Exact Mass 250.047738 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rhcI0s12mc
Name Benzene-1,4-diacetic acid, di-acetic anhydride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.047738036 u
Formula C12H10O6
InChI InChI=1S/C12H10O6/c1-7(13)17-11(15)9-3-5-10(6-4-9)12(16)18-8(2)14/h3-6H,1-2H3
InChIKey PQLRICLKWPLTNQ-UHFFFAOYSA-N
Molecular Weight 250.206 g/mol
SMILES CC(=O)OC(=O)C1=CC=C(C=C1)C(=O)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956581