| SpectraBase Compound ID | Boaj1nXamT9 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3/b8-7+ |
| InChIKey | FPYGEIIHKNPNTM-BQYQJAHWSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3npRS3y55PK |
|---|---|
| Name | Succinic acid, 2-methylpent-3-yl trans-hex-3-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3/b8-7+ |
| InChIKey | FPYGEIIHKNPNTM-BQYQJAHWSA-N |
| SMILES | C(CC(OC(CC)C(C)C)=O)C(OCC\C=C\CC)=O |