| SpectraBase Compound ID | 5BECkESccM5 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+ |
| InChIKey | JPSMSFPZQBRHIJ-AATRIKPKSA-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 | EVlbSzgIX8a |
|---|---|
| Name | Succinic acid, isohexyl trans-hex-3-enyl 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/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+ |
| InChIKey | JPSMSFPZQBRHIJ-AATRIKPKSA-N |
| SMILES | C(OCC\C=C\CC)(CCC(OCCCC(C)C)=O)=O |