| SpectraBase Compound ID | JvFLaaOOWAI |
|---|---|
| InChI | InChI=1S/C19H31ClO4/c1-3-12-17(4-2)24-19(22)14-11-13-18(21)23-16-10-8-6-5-7-9-15-20/h3-4,17H,1-2,5-16H2 |
| InChIKey | ABMMHYFPVKRFIQ-UHFFFAOYSA-N |
| Mol Weight | 358.91 g/mol |
| Molecular Formula | C19H31ClO4 |
| Exact Mass | 358.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPG3ZevKLQ9 |
|---|---|
| Name | Glutaric acid, hexa-1,5-dien-3-yl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.191087174 u |
| Formula | C19H31ClO4 |
| InChI | InChI=1S/C19H31ClO4/c1-3-12-17(4-2)24-19(22)14-11-13-18(21)23-16-10-8-6-5-7-9-15-20/h3-4,17H,1-2,5-16H2 |
| InChIKey | ABMMHYFPVKRFIQ-UHFFFAOYSA-N |
| Molecular Weight | 358.906 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC(C=C)CC=C)=O |