| SpectraBase Compound ID | If5L9gjjtcN |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-12(2)11-19-15(17)9-7-6-8-10-16(18)20-14(5)13(3)4/h12-14H,6-11H2,1-5H3 |
| InChIKey | GMQXIYPBBSKSGC-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jo2IrUM10Rk |
|---|---|
| Name | Pimelic acid, 3-methylbut-2-yl isobutyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-12(2)11-19-15(17)9-7-6-8-10-16(18)20-14(5)13(3)4/h12-14H,6-11H2,1-5H3 |
| InChIKey | GMQXIYPBBSKSGC-UHFFFAOYSA-N |
| Molecular Weight | 286.412 g/mol |
| SMILES | C(CCCCCC(OC(C(C)C)C)=O)(OCC(C)C)=O |
| SPLASH | splash10-0006-5900000000-f9eebdb761bea42e7aa1 |
| Source of Spectrum | TIPS-2022-998-0 |
| Wiley ID | 1822515 |