| SpectraBase Compound ID | ABlEeIae0Df |
|---|---|
| InChI | InChI=1S/C21H37ClO4/c1-3-5-10-14-19(4-2)26-21(24)16-13-15-20(23)25-18-12-9-7-6-8-11-17-22/h4,19H,2-3,5-18H2,1H3 |
| InChIKey | ODKUMRUKSOCIOC-UHFFFAOYSA-N |
| Mol Weight | 389.0 g/mol |
| Molecular Formula | C21H37ClO4 |
| Exact Mass | 388.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6AVh3Jevl3 |
|---|---|
| Name | Glutaric acid, oct-1-en-3-yl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.238037367 u |
| Formula | C21H37ClO4 |
| InChI | InChI=1S/C21H37ClO4/c1-3-5-10-14-19(4-2)26-21(24)16-13-15-20(23)25-18-12-9-7-6-8-11-17-22/h4,19H,2-3,5-18H2,1H3 |
| InChIKey | ODKUMRUKSOCIOC-UHFFFAOYSA-N |
| Molecular Weight | 388.976 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC(C=C)CCCCC)=O |