![1-[2-(3-Nitrobenzoyl)phenyl]ethanone](/api/spectrum/4ox4EsH0SgU/structure.png?h=300&w=458 "1-[2-(3-Nitrobenzoyl)phenyl]ethanone")
| SpectraBase Compound ID | FCT5KHzrI71 |
|---|---|
| InChI | InChI=1S/C15H11NO4/c1-10(17)13-7-2-3-8-14(13)15(18)11-5-4-6-12(9-11)16(19)20/h2-9H,1H3 |
| InChIKey | AJPIVQVHSAWWLH-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 | 4ox4EsH0SgU |
|---|---|
| Name | 1-[2-(3-Nitrobenzoyl)phenyl]ethanone |
| 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/c1-10(17)13-7-2-3-8-14(13)15(18)11-5-4-6-12(9-11)16(19)20/h2-9H,1H3 |
| InChIKey | AJPIVQVHSAWWLH-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(C(C=2C(C(=O)C)=CC=CC2)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852655 |