| SpectraBase Compound ID | CodIpaB30KF |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-2-3-4-8-12(14)10-6-5-7-11(9-10)13(15)16/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | FNASGZYMJWPNFO-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 | 9B0Sqibw2kb |
|---|---|
| Name | 1-(3-Nitrophenyl)hexan-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-2-3-4-8-12(14)10-6-5-7-11(9-10)13(15)16/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | FNASGZYMJWPNFO-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C(CCCCC)(=O)c1cc(ccc1)N(=O)=O |
| SPLASH | splash10-0gb9-0900000000-0d7dff404175858c1e02 |
| Source of Spectrum | U1-2002-3262-3 |
| Synonyms | 1-(3-nitrophenyl)-1-hexanone |
| Wiley ID | 1523184 |