| SpectraBase Compound ID | H4qyojaTZfO |
|---|---|
| InChI | InChI=1S/C17H21ClO4/c1-2-3-4-5-12-21-16(19)10-11-17(20)22-13-14-6-8-15(18)9-7-14/h6-11H,2-5,12-13H2,1H3/b11-10+ |
| InChIKey | LRNKMBYHBWXEED-ZHACJKMWSA-N |
| Mol Weight | 324.8 g/mol |
| Molecular Formula | C17H21ClO4 |
| Exact Mass | 324.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDDbLN9ZFQh |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.112836852 u |
| Formula | C17H21ClO4 |
| InChI | InChI=1S/C17H21ClO4/c1-2-3-4-5-12-21-16(19)10-11-17(20)22-13-14-6-8-15(18)9-7-14/h6-11H,2-5,12-13H2,1H3/b11-10+ |
| InChIKey | LRNKMBYHBWXEED-ZHACJKMWSA-N |
| Molecular Weight | 324.804 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)(OCCCCCC)=O |