SpectraBase Compound ID | 4slizQaosMU |
---|---|
InChI | InChI=1S/C10H8O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-4,7H,5H2,(H,12,13) |
InChIKey | FKGFSOJGPARLCT-UHFFFAOYSA-N |
Mol Weight | 192.17 g/mol |
Molecular Formula | C10H8O4 |
Exact Mass | 192.042259 g/mol |
SpectraBase Spectrum ID | JkcCM4TTRiH |
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Name | 2-oxo-4-Chromancarboxylic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.042258734 u |
Formula | C10H8O4 |
InChI | InChI=1S/C10H8O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-4,7H,5H2,(H,12,13) |
InChIKey | FKGFSOJGPARLCT-UHFFFAOYSA-N |
SMILES | OC(C1CC(OC2=C1C=CC=C2)=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.974182 |