| SpectraBase Compound ID | K2RqgmPJIcf |
|---|---|
| InChI | InChI=1S/C9H6O6/c10-8(11)4-1-6-7(15-3-14-6)2-5(4)9(12)13/h1-2H,3H2,(H,10,11)(H,12,13) |
| InChIKey | UMEVZMYDJGBHMC-UHFFFAOYSA-N |
| Mol Weight | 210.14 g/mol |
| Molecular Formula | C9H6O6 |
| Exact Mass | 210.016438 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | WQAZPtkfhT |
|---|---|
| Name | Hydrastic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.016437907 u |
| Formula | C9H6O6 |
| InChI | InChI=1S/C9H6O6/c10-8(11)4-1-6-7(15-3-14-6)2-5(4)9(12)13/h1-2H,3H2,(H,10,11)(H,12,13) |
| InChIKey | UMEVZMYDJGBHMC-UHFFFAOYSA-N |
| Molecular Weight | 210.141 g/mol |
| SMILES | C1=C(C(=CC2=C1OCO2)C(O)=O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925683 |