| SpectraBase Compound ID | Fcypr87WYsJ |
|---|---|
| InChI | InChI=1S/C18H13NO3/c20-18(22-15-10-5-2-6-11-15)16-12-7-13-19-17(16)21-14-8-3-1-4-9-14/h1-13H |
| InChIKey | JTILYTDBJJWJDZ-UHFFFAOYSA-N |
| Mol Weight | 291.31 g/mol |
| Molecular Formula | C18H13NO3 |
| Exact Mass | 291.089543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4I1dNbKHySh |
|---|---|
| Name | 2-Phenoxynicotinic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.089543280 u |
| Formula | C18H13NO3 |
| InChI | InChI=1S/C18H13NO3/c20-18(22-15-10-5-2-6-11-15)16-12-7-13-19-17(16)21-14-8-3-1-4-9-14/h1-13H |
| InChIKey | JTILYTDBJJWJDZ-UHFFFAOYSA-N |
| SMILES | C=1C(=C(N=CC1)OC=1C=CC=CC1)C(=O)OC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.878029 |