| SpectraBase Compound ID | 1t8hhJIVXqV |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-6-12-20-16(18)10-8-7-9-11-17(19)21-15(4)13-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | LOFKQAZNEZEKTO-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3VVjOcRokin |
|---|---|
| Name | Pimelic acid, 4-methyl-2-pentyl butyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-6-12-20-16(18)10-8-7-9-11-17(19)21-15(4)13-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | LOFKQAZNEZEKTO-UHFFFAOYSA-N |
| Molecular Weight | 300.439 g/mol |
| SMILES | C(CCCCCC(OC(CC(C)C)C)=O)(OCCCC)=O |
| SPLASH | splash10-0006-9800000000-f997bc30ced81bddc836 |
| Source of Spectrum | TIPS-2022-812-0 |
| Wiley ID | 1822329 |