| SpectraBase Compound ID | G6tCL5BtnSj |
|---|---|
| InChI | InChI=1S/C17H31ClO4/c1-2-3-9-14-21-16(19)11-6-7-12-17(20)22-15-10-5-4-8-13-18/h2-15H2,1H3 |
| InChIKey | QQWWIGPVZCSMGF-UHFFFAOYSA-N |
| Mol Weight | 334.88 g/mol |
| Molecular Formula | C17H31ClO4 |
| Exact Mass | 334.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRG4EhL8l5H |
|---|---|
| Name | Adipic acid, 6-chlorohexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.191087174 u |
| Formula | C17H31ClO4 |
| InChI | InChI=1S/C17H31ClO4/c1-2-3-9-14-21-16(19)11-6-7-12-17(20)22-15-10-5-4-8-13-18/h2-15H2,1H3 |
| InChIKey | QQWWIGPVZCSMGF-UHFFFAOYSA-N |
| Molecular Weight | 334.884 g/mol |
| SMILES | C(CCC(=O)OCCCCCCCl)CC(OCCCCC)=O |