| SpectraBase Compound ID | 8fg4Ca6pfQT |
|---|---|
| InChI | InChI=1S/C9H9NO5/c1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11/h3-5,11H,2H2,1H3 |
| InChIKey | GUBJDUFKRJFIBQ-UHFFFAOYSA-N |
| Mol Weight | 211.17 g/mol |
| Molecular Formula | C9H9NO5 |
| Exact Mass | 211.048072 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | RF4gSqBFuC |
|---|---|
| Name | 4-Nitrosalicylic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.048072389 u |
| Formula | C9H9NO5 |
| InChI | InChI=1S/C9H9NO5/c1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11/h3-5,11H,2H2,1H3 |
| InChIKey | GUBJDUFKRJFIBQ-UHFFFAOYSA-N |
| Molecular Weight | 211.173 g/mol |
| SMILES | OC=1C(=CC=C(C1)N(=O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.890168 |