| SpectraBase Compound ID | 1Fi5BA1bi8j |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-10-15(11-6-2)21-17(19)13-9-7-8-12-16(18)20-14(3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | QRLDJPKIZFARNM-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DexNucDN6vo |
|---|---|
| Name | Pimelic acid, 4-heptyl isopropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-10-15(11-6-2)21-17(19)13-9-7-8-12-16(18)20-14(3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | QRLDJPKIZFARNM-UHFFFAOYSA-N |
| Molecular Weight | 300.439 g/mol |
| SMILES | C(CCCCCC(OC(CCC)CCC)=O)(OC(C)C)=O |
| SPLASH | splash10-0006-4900000000-286842b3b0e553347318 |
| Source of Spectrum | TIPS-2022-819-0 |
| Wiley ID | 1822336 |