| SpectraBase Compound ID | KtXakiM2fty |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-6-7-11-14-21-17(19)12-9-8-10-13-18(20)22-16(4)15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | IDDNJNUVONXXCH-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 | 200VToqnSZ5 |
|---|---|
| Name | Pimelic acid, 3-methylbut-2-yl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-5-6-7-11-14-21-17(19)12-9-8-10-13-18(20)22-16(4)15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | IDDNJNUVONXXCH-UHFFFAOYSA-N |
| Molecular Weight | 314.466 g/mol |
| SMILES | C(CCCCCC(OC(C(C)C)C)=O)(OCCCCCC)=O |
| SPLASH | splash10-002f-8910000000-6200f5c278ffea5cd41e |
| Source of Spectrum | TIPS-2022-1001-0 |
| Wiley ID | 1822518 |