| SpectraBase Compound ID | BP4Tt1oAZiW |
|---|---|
| InChI | InChI=1S/C19H33ClO4/c1-2-3-4-10-16-23-18(21)13-12-14-19(22)24-17-11-8-6-5-7-9-15-20/h4,10H,2-3,5-9,11-17H2,1H3/b10-4+ |
| InChIKey | GQIQYCQMVIXDPU-ONNFQVAWSA-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 | LChWQqz7BPv |
|---|---|
| Name | Glutaric acid, hex-2-en-1-yl 8-chlorooctyl 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/c1-2-3-4-10-16-23-18(21)13-12-14-19(22)24-17-11-8-6-5-7-9-15-20/h4,10H,2-3,5-9,11-17H2,1H3/b10-4+ |
| InChIKey | GQIQYCQMVIXDPU-ONNFQVAWSA-N |
| Molecular Weight | 360.922 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC\C=C\CCC)=O |