| SpectraBase Compound ID | GohR04Ecl1a |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-10-16(11-6-2)22-18(20)13-9-7-8-12-17(19)21-14-15(3)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | GKHZIHMKGUTFAQ-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EvAc1vtwirQ |
|---|---|
| Name | Pimelic acid, 4-heptyl isobutyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-5-10-16(11-6-2)22-18(20)13-9-7-8-12-17(19)21-14-15(3)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | GKHZIHMKGUTFAQ-UHFFFAOYSA-N |
| Molecular Weight | 314.466 g/mol |
| SMILES | C(CCCCCC(OC(CCC)CCC)=O)(OCC(C)C)=O |
| SPLASH | splash10-0007-5900000000-cf45e51f4a96b26c4b2a |
| Source of Spectrum | TIPS-2022-820-0 |
| Wiley ID | 1822337 |