| SpectraBase Compound ID | JslpEKHzLpV |
|---|---|
| InChI | InChI=1S/C17H31ClO4/c1-2-21-16(19)12-8-7-9-13-17(20)22-15-11-6-4-3-5-10-14-18/h2-15H2,1H3 |
| InChIKey | AQUQGMMZAUMXIF-UHFFFAOYSA-N |
| Mol Weight | 334.88 g/mol |
| Molecular Formula | C17H31ClO4 |
| Exact Mass | 334.191087 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LNMKeFrBzgN |
|---|---|
| Name | Pimelic acid, 8-chlorooctyl ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H31ClO4 |
| InChI | InChI=1S/C17H31ClO4/c1-2-21-16(19)12-8-7-9-13-17(20)22-15-11-6-4-3-5-10-14-18/h2-15H2,1H3 |
| InChIKey | AQUQGMMZAUMXIF-UHFFFAOYSA-N |
| Molecular Weight | 334.884 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCCCl)=O)(OCC)=O |
| SPLASH | splash10-05dl-8900000000-ba8db056698654766f9a |
| Source of Spectrum | TIPS-2022-837-0 |
| Wiley ID | 1822354 |