| SpectraBase Compound ID | 4wExk3HK1q5 |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-15-22-18(20)13-14-19(21)23-16-11-12-17(2)3/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3/b9-8-,14-13+ |
| InChIKey | IUACXUGKLOXHDY-NRSBDZSJSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dxwn39TpP1F |
|---|---|
| Name | Fumaric acid, cis-non-3-enyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-15-22-18(20)13-14-19(21)23-16-11-12-17(2)3/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3/b9-8-,14-13+ |
| InChIKey | IUACXUGKLOXHDY-NRSBDZSJSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(\C=C\C(OCCCC(C)C)=O)(OCC\C=C/CCCCC)=O |