| SpectraBase Compound ID | K4YPh4nSnvh |
|---|---|
| InChI | InChI=1S/C15H13NO5/c1-20-14-5-3-2-4-12(14)10-21-15(17)11-6-8-13(9-7-11)16(18)19/h2-9H,10H2,1H3 |
| InChIKey | KAGOKGVLQCTGMZ-UHFFFAOYSA-N |
| Mol Weight | 287.27 g/mol |
| Molecular Formula | C15H13NO5 |
| Exact Mass | 287.079373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7b4hBmbJX6V |
|---|---|
| Name | 2-Methoxybenzyl 4-nitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.079372518 u |
| Formula | C15H13NO5 |
| InChI | InChI=1S/C15H13NO5/c1-20-14-5-3-2-4-12(14)10-21-15(17)11-6-8-13(9-7-11)16(18)19/h2-9H,10H2,1H3 |
| InChIKey | KAGOKGVLQCTGMZ-UHFFFAOYSA-N |
| SMILES | C=1(C(OCC2=CC=CC=C2OC)=O)C=CC(=CC1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865069 |