| SpectraBase Compound ID | 5216dMxoyb7 |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3 |
| InChIKey | DMSGZRWAESVGIP-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 | E8P544ZhG06 |
|---|---|
| Name | 10-Undecenoic acid, 3-methylbutyl 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/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3 |
| InChIKey | DMSGZRWAESVGIP-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(C(OCCC(C)C)=O)CCCCCCCC=C |