| SpectraBase Compound ID | JBYmKyN7sXY |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-10(14)7-8-12(13(15)16)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3 |
| InChIKey | IQGRTJKJGNVAPH-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Cvky3fU4m6 |
|---|---|
| Name | 5-Nitro-6-phenylhexan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-10(14)7-8-12(13(15)16)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3 |
| InChIKey | IQGRTJKJGNVAPH-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | CC(CCC(Cc1ccccc1)N(=O)=O)=O |
| SPLASH | splash10-00kf-6900000000-f65a92095548a315c139 |
| Source of Spectrum | F-68-5855-3da |
| Wiley ID | 1717324 |