| SpectraBase Compound ID | ANYhyIRxU8N |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-3-5-6-7-8-9-10-14-20-16(18)12-11-15(17)19-13-4-2/h8-9,11-12H,3-7,10,13-14H2,1-2H3/b9-8-,12-11+ |
| InChIKey | CGTOJJPEEONSGI-UONSLQGUSA-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 | 9KFbhJmQpOP |
|---|---|
| Name | Fumaric acid, cis-non-3-enyl propyl 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/c1-3-5-6-7-8-9-10-14-20-16(18)12-11-15(17)19-13-4-2/h8-9,11-12H,3-7,10,13-14H2,1-2H3/b9-8-,12-11+ |
| InChIKey | CGTOJJPEEONSGI-UONSLQGUSA-N |
| SMILES | C(\C=C\C(OCCC)=O)(OCC\C=C/CCCCC)=O |