| SpectraBase Compound ID | BOBJWH53vVe |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-8(2)10(12(14)15)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | MYZKCYIJSRUXMZ-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2V34AXyKlpO |
|---|---|
| Name | 1-Butanone, 3-methyl-2-nitro-1-phenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-8(2)10(12(14)15)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | MYZKCYIJSRUXMZ-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | C(N(=O)=O)(C(C)C)C(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834341 |