| SpectraBase Compound ID | CzJuxChk5Jt |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-7-13-20-16(18)11-9-8-10-12-17(19)21-15(4)14(3)6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | HATUJYRBWJHQDK-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lUAz3yyMrH |
|---|---|
| Name | Pimelic acid, butyl 3-methyl-2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-7-13-20-16(18)11-9-8-10-12-17(19)21-15(4)14(3)6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | HATUJYRBWJHQDK-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)CC)C)(=O)CCCCCC(OCCCC)=O |