| SpectraBase Compound ID | K3zf1fXsVkw |
|---|---|
| InChI | InChI=1S/C15H13NO4/c1-10-12(6-5-7-13(10)19-11(2)17)15(18)20-14-8-3-4-9-16-14/h3-9H,1-2H3 |
| InChIKey | UVAZOXUTTIJBCJ-UHFFFAOYSA-N |
| Mol Weight | 271.27 g/mol |
| Molecular Formula | C15H13NO4 |
| Exact Mass | 271.084458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4WUpf6vokIF |
|---|---|
| Name | 2'-Pyridinyl 3-acetoxy-2-methylbenzoate |
| 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/c1-10-12(6-5-7-13(10)19-11(2)17)15(18)20-14-8-3-4-9-16-14/h3-9H,1-2H3 |
| InChIKey | UVAZOXUTTIJBCJ-UHFFFAOYSA-N |
| SMILES | C(C=1C(=C(OC(=O)C)C=CC1)C)(OC1=NC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907306 |