| SpectraBase Compound ID | 288MgOzTolA |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-2-13-9(11)7-3-5-8(10-12)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | QKVJSTCHTZXKHI-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4cvP3FytsVo |
|---|---|
| Name | p-Nitrosobenzoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-2-13-9(11)7-3-5-8(10-12)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | QKVJSTCHTZXKHI-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C=1C(=CC=C(C1)N=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.914182 |