![1-[4-(2-Nitrophenoxy)phenyl]-1-propanone](/api/spectrum/3wdGUqUAkbu/structure.png?h=300&w=458 "1-[4-(2-Nitrophenoxy)phenyl]-1-propanone")
| SpectraBase Compound ID | 5cLQ7Zn5zuc |
|---|---|
| InChI | InChI=1S/C15H13NO4/c1-2-14(17)11-7-9-12(10-8-11)20-15-6-4-3-5-13(15)16(18)19/h3-10H,2H2,1H3 |
| InChIKey | DTYAYJNYIPKOPB-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 | 3wdGUqUAkbu |
|---|---|
| Name | 1-[4-(2-Nitrophenoxy)phenyl]-1-propanone |
| 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/c1-2-14(17)11-7-9-12(10-8-11)20-15-6-4-3-5-13(15)16(18)19/h3-10H,2H2,1H3 |
| InChIKey | DTYAYJNYIPKOPB-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(OC2=CC=C(C(=O)CC)C=C2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877087 |