| SpectraBase Compound ID | 4UTkId72teG |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-7-12-16(6-3)22-18(20)14-11-9-10-13-17(19)21-15-8-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | JCOOCDNVORPSHX-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 | 3KCrTuD1r7J |
|---|---|
| Name | Pimelic acid, butyl hept-3-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-4-7-12-16(6-3)22-18(20)14-11-9-10-13-17(19)21-15-8-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | JCOOCDNVORPSHX-UHFFFAOYSA-N |
| Molecular Weight | 314.466 g/mol |
| SMILES | C(CCCCCC(OCCCC)=O)(OC(CCCC)CC)=O |
| SPLASH | splash10-002g-4900000000-b2d8534fb66f270b4742 |
| Source of Spectrum | TIPS-2022-1016-0 |
| Wiley ID | 1822533 |