| SpectraBase Compound ID | JdJtw38PpDD |
|---|---|
| InChI | InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13) |
| InChIKey | WQMLUHZFRFCQDB-UHFFFAOYSA-N |
| Mol Weight | 209.2 g/mol |
| Molecular Formula | C10H11NO4 |
| Exact Mass | 209.068808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HXie5PMOOHu |
|---|---|
| Name | 4-(p-Nitrophenyl)butyric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.068807834 u |
| Formula | C10H11NO4 |
| InChI | InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13) |
| InChIKey | WQMLUHZFRFCQDB-UHFFFAOYSA-N |
| Molecular Weight | 209.201 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(CCCC(O)=O)=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.963776 |