SpectraBase Compound ID | 92Tg4WujTIc |
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InChI | InChI=1S/C7H4O4/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,8H |
InChIKey | GUFBCFUTLOKYBX-UHFFFAOYSA-N |
Mol Weight | 152.1 g/mol |
Molecular Formula | C7H4O4 |
Exact Mass | 152.010959 g/mol |
SpectraBase Spectrum ID | DQN2fDgobfE |
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Name | 4-Hydroxy-1,3-benzodioxol-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.010958605 u |
Formula | C7H4O4 |
InChI | InChI=1S/C7H4O4/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,8H |
InChIKey | GUFBCFUTLOKYBX-UHFFFAOYSA-N |
SMILES | C1(OC=2C(O)=CC=CC2O1)=O |
Spectrum/Structure Validation Score (Raman) | 0.887483 |