| SpectraBase Compound ID | 2B8rJ4THuqB |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-7-8-12-15-22-18(20)13-10-9-11-14-19(21)23-17(6-2)16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | QWMCZVFSQCHJFR-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 | 4ynnls8E5Gm |
|---|---|
| Name | Pimelic acid, 2-methylpent-3-yl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-5-7-8-12-15-22-18(20)13-10-9-11-14-19(21)23-17(6-2)16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | QWMCZVFSQCHJFR-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCCCCC(OC(CC)C(C)C)=O)(OCCCCCC)=O |
| SPLASH | splash10-002f-9820000000-5386d2032452164ba246 |
| Source of Spectrum | TIPS-2022-875-0 |
| Wiley ID | 1822392 |