| SpectraBase Compound ID | 8Ikk4Q1XrdV |
|---|---|
| InChI | InChI=1S/C15H11NO5/c1-10-8-12(4-7-14(10)16(19)20)15(18)21-13-5-2-11(9-17)3-6-13/h2-9H,1H3 |
| InChIKey | LNXIRGQJTXSWNJ-UHFFFAOYSA-N |
| Mol Weight | 285.25 g/mol |
| Molecular Formula | C15H11NO5 |
| Exact Mass | 285.063722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GnhAY8MEBrb |
|---|---|
| Name | 4-Formylphenyl 3-methyl-4-nitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.063722453 u |
| Formula | C15H11NO5 |
| InChI | InChI=1S/C15H11NO5/c1-10-8-12(4-7-14(10)16(19)20)15(18)21-13-5-2-11(9-17)3-6-13/h2-9H,1H3 |
| InChIKey | LNXIRGQJTXSWNJ-UHFFFAOYSA-N |
| SMILES | C=1C(=C(C=CC1C(OC=1C=CC(=CC1)C=O)=O)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926318 |