| SpectraBase Compound ID | ATwP0v8Iexg |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-4-7-8-12-16-22-18(20)14-10-9-11-15-19(21)23-17(6-3)13-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | HTNGMHVWXKFNAF-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LoZfO4cXKIf |
|---|---|
| Name | Pimelic acid, hex-3-yl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-4-7-8-12-16-22-18(20)14-10-9-11-15-19(21)23-17(6-3)13-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | HTNGMHVWXKFNAF-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCCCCC(OC(CCC)CC)=O)(OCCCCCC)=O |
| SPLASH | splash10-002f-6920000000-60fb8fe1a0a36d8103ec |
| Source of Spectrum | TIPS-2022-960-0 |
| Wiley ID | 1822477 |