| SpectraBase Compound ID | 1xyeG1PKnmn |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-11-15(17)19-13-9-7-5-2/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | AFJGCYSHNUYEAQ-VAWYXSNFSA-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 | Cn75lYsrXfV |
|---|---|
| Name | Fumaric acid, 2-heptyl pentyl 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/c1-4-6-8-10-14(3)20-16(18)12-11-15(17)19-13-9-7-5-2/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | AFJGCYSHNUYEAQ-VAWYXSNFSA-N |
| SMILES | C(OC(C)CCCCC)(\C=C\C(OCCCCC)=O)=O |