| SpectraBase Compound ID | 4PMbgD8o3d8 |
|---|---|
| InChI | InChI=1S/C23H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-22(25)17-18-23(26)28-21-19-24/h17-18H,2-16,19-21H2,1H3/b18-17+ |
| InChIKey | GUJOINUPVRCFDK-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 | 3JMQDbs9wUh |
|---|---|
| Name | Fumaric acid, 2-chloroethyl heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-22(25)17-18-23(26)28-21-19-24/h17-18H,2-16,19-21H2,1H3/b18-17+ |
| InChIKey | GUJOINUPVRCFDK-ISLYRVAYSA-N |
| Molecular Weight | 417.030 g/mol |
| SMILES | C(CCCCCCCOC(\C=C\C(OCCCl)=O)=O)CCCCCCCCC |