![2-Hexanone, 3-[hydroxy(2-nitrophenyl)methyl]-](/api/spectrum/AltiNWpXcNS/structure.png?h=300&w=458 "2-Hexanone, 3-[hydroxy(2-nitrophenyl)methyl]-")
| SpectraBase Compound ID | DBiFZni1UyH |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-3-6-10(9(2)15)13(16)11-7-4-5-8-12(11)14(17)18/h4-5,7-8,10,13,16H,3,6H2,1-2H3 |
| InChIKey | DOFGCSZCKKWZJU-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AltiNWpXcNS |
|---|---|
| Name | 2-Hexanone, 3-[hydroxy(2-nitrophenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-3-6-10(9(2)15)13(16)11-7-4-5-8-12(11)14(17)18/h4-5,7-8,10,13,16H,3,6H2,1-2H3 |
| InChIKey | DOFGCSZCKKWZJU-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C(C(O)C1=C(N(=O)=O)C=CC=C1)(CCC)C(C)=O |