| SpectraBase Compound ID | I98pMQ99L8j |
|---|---|
| InChI | InChI=1S/C22H42O/c1-5-8-11-14-17-21(18-15-12-9-6-2)22(20(4)23)19-16-13-10-7-3/h5-19H2,1-4H3 |
| InChIKey | PTAOYOLOKZYPIN-UHFFFAOYSA-N |
| Mol Weight | 322.6 g/mol |
| Molecular Formula | C22H42O |
| Exact Mass | 322.323566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | heU4IzeOIS |
|---|---|
| Name | 3,4-Dihexyldec-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.323565971 u |
| Formula | C22H42O |
| InChI | InChI=1S/C22H42O/c1-5-8-11-14-17-21(18-15-12-9-6-2)22(20(4)23)19-16-13-10-7-3/h5-19H2,1-4H3 |
| InChIKey | PTAOYOLOKZYPIN-UHFFFAOYSA-N |
| Molecular Weight | 322.577 g/mol |
| SMILES | CC(C(=C(CCCCCC)CCCCCC)CCCCCC)=O |