| SpectraBase Compound ID | ELeRcUXIMnb |
|---|---|
| InChI | InChI=1S/C18H26O2/c1-3-4-5-6-7-11-14-17(15(2)19)18(20)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3 |
| InChIKey | OLGHRLWDRJDQRS-UHFFFAOYSA-N |
| Mol Weight | 274.4 g/mol |
| Molecular Formula | C18H26O2 |
| Exact Mass | 274.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0UTxAn8z21 |
|---|---|
| Name | 2-Octyl-1-phenyl-butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.193280075 u |
| Formula | C18H26O2 |
| InChI | InChI=1S/C18H26O2/c1-3-4-5-6-7-11-14-17(15(2)19)18(20)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3 |
| InChIKey | OLGHRLWDRJDQRS-UHFFFAOYSA-N |
| Molecular Weight | 274.404 g/mol |
| SMILES | C(C(C(=O)C)CCCCCCCC)(=O)C1=CC=CC=C1 |