| SpectraBase Compound ID | 2po5wqNMj8q |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-4-5-6-11-14-18-16(17)13-10-8-7-9-12-15(2)3/h9,12,15H,4-8,10-11,13-14H2,1-3H3/b12-9+ |
| InChIKey | RALAMQCXOAZCLK-FMIVXFBMSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVXNZ5DL8nA |
|---|---|
| Name | Hexyl 8-methylnon-6-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-4-5-6-11-14-18-16(17)13-10-8-7-9-12-15(2)3/h9,12,15H,4-8,10-11,13-14H2,1-3H3/b12-9+ |
| InChIKey | RALAMQCXOAZCLK-FMIVXFBMSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(CCCC\C=C\C(C)C)(=O)OCCCCCC |