![5,7,7-Trimethyl-3-[(1E)-prop-1-en-1-yl]octanal](/api/spectrum/9SdXtldDh6g/structure.png?h=300&w=458 "5,7,7-Trimethyl-3-[(1E)-prop-1-en-1-yl]octanal")
| SpectraBase Compound ID | LUatWixPNVE |
|---|---|
| InChI | InChI=1S/C14H26O/c1-6-7-13(8-9-15)10-12(2)11-14(3,4)5/h6-7,9,12-13H,8,10-11H2,1-5H3/b7-6+ |
| InChIKey | SLVMCXLEHJEVOV-VOTSOKGWSA-N |
| Mol Weight | 210.36 g/mol |
| Molecular Formula | C14H26O |
| Exact Mass | 210.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SdXtldDh6g |
|---|---|
| Name | 5,7,7-Trimethyl-3-[(1E)-prop-1-en-1-yl]octanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.198365456 u |
| Formula | C14H26O |
| InChI | InChI=1S/C14H26O/c1-6-7-13(8-9-15)10-12(2)11-14(3,4)5/h6-7,9,12-13H,8,10-11H2,1-5H3/b7-6+ |
| InChIKey | SLVMCXLEHJEVOV-VOTSOKGWSA-N |
| Molecular Weight | 210.361 g/mol |
| SMILES | C(CC(CC(CC(C)(C)C)C)\C=C\C)=O |