| SpectraBase Compound ID | CE6AQ0wt76E |
|---|---|
| InChI | InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17) |
| InChIKey | TWIIVLKQFJBFPW-UHFFFAOYSA-N |
| Mol Weight | 271.27 g/mol |
| Molecular Formula | C15H13NO4 |
| Exact Mass | 271.084458 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | copvPp6Ubg |
|---|---|
| Name | Phenetsal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.084457899 u |
| Formula | C15H13NO4 |
| InChI | InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17) |
| InChIKey | TWIIVLKQFJBFPW-UHFFFAOYSA-N |
| Molecular Weight | 271.272 g/mol |
| SMILES | N(C=1C=CC(OC(C=2C(=CC=CC2)O)=O)=CC1)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.852124 |