| SpectraBase Compound ID | 1L9pXzDklMy |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-3-5-7-8-10-14-20-16(18)12-11-15(17)19-13-9-6-4-2/h4,11-12H,2-3,5-10,13-14H2,1H3/b12-11+ |
| InChIKey | SGLOUBOOSRWDAJ-VAWYXSNFSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ch95XjSNjU |
|---|---|
| Name | Fumaric acid, heptyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-3-5-7-8-10-14-20-16(18)12-11-15(17)19-13-9-6-4-2/h4,11-12H,2-3,5-10,13-14H2,1H3/b12-11+ |
| InChIKey | SGLOUBOOSRWDAJ-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OCCCCCCC)=O)(OCCCC=C)=O |