| SpectraBase Compound ID | GkQJv0ylz2i |
|---|---|
| InChI | InChI=1S/C19H33ClO4/c1-2-3-4-8-11-16-23-18(21)13-14-19(22)24-17-12-9-6-5-7-10-15-20/h13-14H,2-12,15-17H2,1H3/b14-13+ |
| InChIKey | FBIIAROAPWHMQC-BUHFOSPRSA-N |
| Mol Weight | 360.9 g/mol |
| Molecular Formula | C19H33ClO4 |
| Exact Mass | 360.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kNh12vPhuw |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.206737239 u |
| Formula | C19H33ClO4 |
| InChI | InChI=1S/C19H33ClO4/c1-2-3-4-8-11-16-23-18(21)13-14-19(22)24-17-12-9-6-5-7-10-15-20/h13-14H,2-12,15-17H2,1H3/b14-13+ |
| InChIKey | FBIIAROAPWHMQC-BUHFOSPRSA-N |
| Molecular Weight | 360.922 g/mol |
| SMILES | C(\C=C\C(OCCCCCCC)=O)(OCCCCCCCCCl)=O |