| SpectraBase Compound ID | Dhk7dvWHq9T |
|---|---|
| InChI | InChI=1S/C21H39ClO4/c1-2-3-4-13-18-25-20(23)15-10-9-11-16-21(24)26-19-14-8-6-5-7-12-17-22/h2-19H2,1H3 |
| InChIKey | NOEOEBSGJQWSRE-UHFFFAOYSA-N |
| Mol Weight | 391.0 g/mol |
| Molecular Formula | C21H39ClO4 |
| Exact Mass | 390.253687 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 41Txthp4oEN |
|---|---|
| Name | Pimelic acid, 8-chlorooctyl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H39ClO4 |
| InChI | InChI=1S/C21H39ClO4/c1-2-3-4-13-18-25-20(23)15-10-9-11-16-21(24)26-19-14-8-6-5-7-12-17-22/h2-19H2,1H3 |
| InChIKey | NOEOEBSGJQWSRE-UHFFFAOYSA-N |
| Molecular Weight | 390.992 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCC)=O |
| SPLASH | splash10-002f-9710000000-dc566211be64a0d329ee |
| Source of Spectrum | TIPS-2022-842-0 |
| Wiley ID | 1822359 |