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Orthocarbonic acid, cyclic diester with pyrocatechol

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

Orthocarbonic acid, cyclic diester with pyrocatechol
SpectraBase Compound ID 4cgtBHBHdk2
InChI InChI=1S/C13H8O4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H
InChIKey LPVNBSMANKMSDC-UHFFFAOYSA-N
Mol Weight 228.2 g/mol
Molecular Formula C13H8O4
Exact Mass 228.042259 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2yFTOJ0uDKS
Name Orthocarbonic acid, cyclic diester with pyrocatechol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.042258734 u
Formula C13H8O4
InChI InChI=1S/C13H8O4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H
InChIKey LPVNBSMANKMSDC-UHFFFAOYSA-N
Molecular Weight 228.203 g/mol
SMILES C12(OC=3C=CC=CC3O2)OC=2C=CC=CC2O1
Spectrum/Structure Validation Score (Raman) 0.891118