| SpectraBase Compound ID | 3morxcrneTL |
|---|---|
| InChI | InChI=1S/C17H26O/c1-4-6-10-15(5-2)13-14(3)17(18)16-11-8-7-9-12-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3 |
| InChIKey | ZTTIRKAJWZRMEY-UHFFFAOYSA-N |
| Mol Weight | 246.39 g/mol |
| Molecular Formula | C17H26O |
| Exact Mass | 246.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdXASR9Cz84 |
|---|---|
| Name | 1-Octanone, 4-ethyl-2-methyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.198365456 u |
| Formula | C17H26O |
| InChI | InChI=1S/C17H26O/c1-4-6-10-15(5-2)13-14(3)17(18)16-11-8-7-9-12-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3 |
| InChIKey | ZTTIRKAJWZRMEY-UHFFFAOYSA-N |
| Molecular Weight | 246.394 g/mol |
| SMILES | C1(=CC=CC=C1)C(C(CC(CC)CCCC)C)=O |