| SpectraBase Compound ID | 8hqQDoM2Fh3 |
|---|---|
| InChI | InChI=1S/C15H13NO4/c1-11-2-4-12(5-3-11)10-20-15(17)13-6-8-14(9-7-13)16(18)19/h2-9H,10H2,1H3 |
| InChIKey | AAAOOZKCQDDAJO-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 | H37oUe96RcU |
|---|---|
| Name | (4-Methylphenyl)methyl 4-nitrobenzoate |
| 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/c1-11-2-4-12(5-3-11)10-20-15(17)13-6-8-14(9-7-13)16(18)19/h2-9H,10H2,1H3 |
| InChIKey | AAAOOZKCQDDAJO-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C(OCC2=CC=C(C=C2)C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859134 |