| SpectraBase Compound ID | 31rp6UuMP5A |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-7-9-13-17-23-19(21)15-11-10-12-16-20(22)24-18(6-3)14-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | KNWJPISGRMYQTI-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Nd9x4JCWLO |
|---|---|
| Name | Pimelic acid, hept-3-yl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-7-9-13-17-23-19(21)15-11-10-12-16-20(22)24-18(6-3)14-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | KNWJPISGRMYQTI-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCCC(OCCCCCC)=O)(OC(CCCC)CC)=O |
| SPLASH | splash10-002f-7920000000-ffaec7fb9550ecfa03e9 |
| Source of Spectrum | TIPS-2022-1018-0 |
| Wiley ID | 1822535 |