| SpectraBase Compound ID | 19PwsOGcZ9g |
|---|---|
| InChI | InChI=1S/C13H9NO5/c15-11-8-4-7-10(14(17)18)12(11)13(16)19-9-5-2-1-3-6-9/h1-8,15H |
| InChIKey | QEBGVTXZUPOYQS-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C13H9NO5 |
| Exact Mass | 259.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1z9EgiDkidj |
|---|---|
| Name | Phenyl 2-hydroxy-6-nitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.048072389 u |
| Formula | C13H9NO5 |
| InChI | InChI=1S/C13H9NO5/c15-11-8-4-7-10(14(17)18)12(11)13(16)19-9-5-2-1-3-6-9/h1-8,15H |
| InChIKey | QEBGVTXZUPOYQS-UHFFFAOYSA-N |
| SMILES | C1(C(OC=2C=CC=CC2)=O)=C(N(=O)=O)C=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959366 |