| SpectraBase Compound ID | FdBaAUyJklQ |
|---|---|
| InChI | InChI=1S/C21H37ClO4/c1-2-3-4-5-7-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-9-12-17-22/h7,10H,2-6,8-9,11-19H2,1H3/b10-7+ |
| InChIKey | SMJMRHXMSVIFLZ-JXMROGBWSA-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 | 5k5V6p17Xbi |
|---|---|
| Name | Succinic acid, 8-chlorooctyl non-3-en-1-yl 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/c1-2-3-4-5-7-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-9-12-17-22/h7,10H,2-6,8-9,11-19H2,1H3/b10-7+ |
| InChIKey | SMJMRHXMSVIFLZ-JXMROGBWSA-N |
| Molecular Weight | 388.976 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OCC\C=C\CCCCC)=O |