![1-Hydroxy-1-[(4-nitro)phenyl]-2-propanone](/api/spectrum/80u7fiq82MP/structure.png?h=300&w=458 "1-Hydroxy-1-[(4-nitro)phenyl]-2-propanone")
| SpectraBase Compound ID | 9MYlkb1NRKQ |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,1H3 |
| InChIKey | WVSUTQKUVBLLEW-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80u7fiq82MP |
|---|---|
| Name | 1-Hydroxy-1-[(4-nitro)phenyl]-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,1H3 |
| InChIKey | WVSUTQKUVBLLEW-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C(C(C)=O)(C=1C=CC(=CC1)N(=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883598 |