| SpectraBase Compound ID | Ix7ZIszy15L |
|---|---|
| InChI | InChI=1S/C12H19ClO4/c1-2-3-4-5-9-16-11(14)6-7-12(15)17-10-8-13/h6-7H,2-5,8-10H2,1H3/b7-6+ |
| InChIKey | FQZXHADMFLFXRS-VOTSOKGWSA-N |
| Mol Weight | 262.73 g/mol |
| Molecular Formula | C12H19ClO4 |
| Exact Mass | 262.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kWCF7ZsLhK |
|---|---|
| Name | Fumaric acid, 2-chloroethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.097186788 u |
| Formula | C12H19ClO4 |
| InChI | InChI=1S/C12H19ClO4/c1-2-3-4-5-9-16-11(14)6-7-12(15)17-10-8-13/h6-7H,2-5,8-10H2,1H3/b7-6+ |
| InChIKey | FQZXHADMFLFXRS-VOTSOKGWSA-N |
| Molecular Weight | 262.733 g/mol |
| SMILES | C(\C=C\C(OCCCl)=O)(OCCCCCC)=O |