| SpectraBase Compound ID | GFe3v6OdUvv |
|---|---|
| InChI | InChI=1S/C23H41ClO4/c1-2-3-4-5-9-12-15-20-27-22(25)17-18-23(26)28-21-16-13-10-7-6-8-11-14-19-24/h17-18H,2-16,19-21H2,1H3/b18-17+ |
| InChIKey | ACJORMVAPZCSEZ-ISLYRVAYSA-N |
| Mol Weight | 417.0 g/mol |
| Molecular Formula | C23H41ClO4 |
| Exact Mass | 416.269337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 890ZxOLAjSL |
|---|---|
| Name | Fumaric acid, 10-chlorodecyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.269337496 u |
| Formula | C23H41ClO4 |
| InChI | InChI=1S/C23H41ClO4/c1-2-3-4-5-9-12-15-20-27-22(25)17-18-23(26)28-21-16-13-10-7-6-8-11-14-19-24/h17-18H,2-16,19-21H2,1H3/b18-17+ |
| InChIKey | ACJORMVAPZCSEZ-ISLYRVAYSA-N |
| Molecular Weight | 417.030 g/mol |
| SMILES | C(OCCCCCCCCCCCl)(\C=C\C(OCCCCCCCCC)=O)=O |