| SpectraBase Compound ID | 9T7wvLh4Cgu |
|---|---|
| InChI | InChI=1S/C16H29ClO4/c1-20-15(18)11-7-6-8-12-16(19)21-14-10-5-3-2-4-9-13-17/h2-14H2,1H3 |
| InChIKey | QAQYAQRLYKNVJD-UHFFFAOYSA-N |
| Mol Weight | 320.86 g/mol |
| Molecular Formula | C16H29ClO4 |
| Exact Mass | 320.175437 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BSkSJhNAree |
|---|---|
| Name | Pimelic acid, 8-chlorooctyl methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H29ClO4 |
| InChI | InChI=1S/C16H29ClO4/c1-20-15(18)11-7-6-8-12-16(19)21-14-10-5-3-2-4-9-13-17/h2-14H2,1H3 |
| InChIKey | QAQYAQRLYKNVJD-UHFFFAOYSA-N |
| Molecular Weight | 320.857 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCCCl)=O)(OC)=O |
| SPLASH | splash10-0a4i-8900000000-bc8a1306b5bc2efad1ff |
| Source of Spectrum | TIPS-2022-836-0 |
| Wiley ID | 1822353 |