SpectraBase Compound ID | 78IVKXSnuJw |
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InChI | InChI=1S/C10H6O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13) |
InChIKey | DORZTUIRBJRLFD-UHFFFAOYSA-N |
Mol Weight | 190.15 g/mol |
Molecular Formula | C10H6O4 |
Exact Mass | 190.026609 g/mol |
SpectraBase Spectrum ID | 23xwqWnhBkz |
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Name | 2-oxo-2H-Chromene-4-carboxylic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.026608669 u |
Formula | C10H6O4 |
InChI | InChI=1S/C10H6O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13) |
InChIKey | DORZTUIRBJRLFD-UHFFFAOYSA-N |
Molecular Weight | 190.154 g/mol |
SMILES | C1(=CC(OC=2C1=CC=CC2)=O)C(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877589 |