| SpectraBase Compound ID | 2dgBGtl6btV |
|---|---|
| InChI | InChI=1S/C15H13NO4/c1-11(17)20-15-8-7-13(10-14(15)16(18)19)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 |
| InChIKey | WOYKTPMZQZJWAP-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 | 218nIRWR7M0 |
|---|---|
| Name | 4-Benzyl-2-nitrophenol, acetate |
| 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/c1-11(17)20-15-8-7-13(10-14(15)16(18)19)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 |
| InChIKey | WOYKTPMZQZJWAP-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)CC1=CC=CC=C1)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805787 |