| SpectraBase Compound ID | 6QibCOtr9aZ |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-5-6-10-14-21-17(19)11-8-7-9-12-18(20)22-15-13-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | VPTVALCLVMQPBH-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHF1PiSHNju |
|---|---|
| Name | Pimelic acid, hexyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-4-5-6-10-14-21-17(19)11-8-7-9-12-18(20)22-15-13-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | VPTVALCLVMQPBH-UHFFFAOYSA-N |
| SMILES | C(OCCC(C)C)(=O)CCCCCC(OCCCCCC)=O |