| SpectraBase Compound ID | Jv0cgeKYBFa |
|---|---|
| InChI | InChI=1S/C17H29ClO4/c1-3-10-15(2)22-17(20)12-11-16(19)21-14-9-7-5-4-6-8-13-18/h11-12,15H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey | DVBYNKUOZYTQHG-VAWYXSNFSA-N |
| Mol Weight | 332.87 g/mol |
| Molecular Formula | C17H29ClO4 |
| Exact Mass | 332.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILWffhhZP3O |
|---|---|
| Name | Fumaric acid, 2-pentyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.175437110 u |
| Formula | C17H29ClO4 |
| InChI | InChI=1S/C17H29ClO4/c1-3-10-15(2)22-17(20)12-11-16(19)21-14-9-7-5-4-6-8-13-18/h11-12,15H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey | DVBYNKUOZYTQHG-VAWYXSNFSA-N |
| Molecular Weight | 332.868 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OC(CCC)C)=O |