SpectraBase Compound ID | KBI9sAhKLvv |
---|---|
InChI | InChI=1S/C10H6O4/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H |
InChIKey | WNIIGYLAWCFYOW-UHFFFAOYSA-N |
Mol Weight | 190.15 g/mol |
Molecular Formula | C10H6O4 |
Exact Mass | 190.026609 g/mol |
SpectraBase Spectrum ID | 3X9CXNdgjTc |
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Name | 4-Hydroxy-2-oxochromene-3-carbaldehyde |
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/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H |
InChIKey | WNIIGYLAWCFYOW-UHFFFAOYSA-N |
Molecular Weight | 190.154 g/mol |
SMILES | C1=CC=CC2=C1OC(=O)C(=C2O)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895218 |