| SpectraBase Compound ID | KdTSvOEvS8U |
|---|---|
| InChI | InChI=1S/C16H29ClO4/c1-2-3-9-12-20-15(18)14-16(19)21-13-10-7-5-4-6-8-11-17/h2-14H2,1H3 |
| InChIKey | GHRBRCOZQDGBSO-UHFFFAOYSA-N |
| Mol Weight | 320.86 g/mol |
| Molecular Formula | C16H29ClO4 |
| Exact Mass | 320.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6l1grqQPQgt |
|---|---|
| Name | Malonic acid, 8-chlorooctyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.175437110 u |
| Formula | C16H29ClO4 |
| InChI | InChI=1S/C16H29ClO4/c1-2-3-9-12-20-15(18)14-16(19)21-13-10-7-5-4-6-8-11-17/h2-14H2,1H3 |
| InChIKey | GHRBRCOZQDGBSO-UHFFFAOYSA-N |
| Molecular Weight | 320.857 g/mol |
| SMILES | C(C(OCCCCCCCCCl)=O)C(OCCCCC)=O |