| SpectraBase Compound ID | 6TpyU5MubmN |
|---|---|
| InChI | InChI=1S/C15H11NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-8,15H,9H2 |
| InChIKey | TULCIAFZYJZBAM-UHFFFAOYSA-N |
| Mol Weight | 269.26 g/mol |
| Molecular Formula | C15H11NO4 |
| Exact Mass | 269.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GPq2iWUaVM4 |
|---|---|
| Name | 4'-Nitroflavanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.068807834 u |
| Formula | C15H11NO4 |
| InChI | InChI=1S/C15H11NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-8,15H,9H2 |
| InChIKey | TULCIAFZYJZBAM-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=CC(C2OC3=C(C=CC=C3)C(C2)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949011 |