| SpectraBase Compound ID | DglPXCIZWuV |
|---|---|
| InChI | InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-3,10H,4H2 |
| InChIKey | LMVZAHFHIMPNRZ-UHFFFAOYSA-N |
| Mol Weight | 178.14 g/mol |
| Molecular Formula | C9H6O4 |
| Exact Mass | 178.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ih7iPcp0OSX |
|---|---|
| Name | 2H-1-Benzopyran-2,4(3H)-dione, 6-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.026608669 u |
| Formula | C9H6O4 |
| InChI | InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-3,10H,4H2 |
| InChIKey | LMVZAHFHIMPNRZ-UHFFFAOYSA-N |
| Molecular Weight | 178.143 g/mol |
| SMILES | C1(O)=CC=C2C(=C1)C(=O)CC(O2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961636 |