| SpectraBase Compound ID | 94ZwozyZ1qI |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-13(2)7-6-8-15(5)11-12-18-16(17)10-9-14(3)4/h7,14-15H,6,8-12H2,1-5H3 |
| InChIKey | GABKAFYIQCMTDH-UHFFFAOYSA-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 | Iftg0oNbK4j |
|---|---|
| Name | Pentanoic acid, 4-methyl-, 3,7-dimethyl-6-octenyl ester |
| 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/c1-13(2)7-6-8-15(5)11-12-18-16(17)10-9-14(3)4/h7,14-15H,6,8-12H2,1-5H3 |
| InChIKey | GABKAFYIQCMTDH-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(CCC(C)C)(=O)OCCC(CCC=C(C)C)C |