| SpectraBase Compound ID | B0RdoMbEVEU |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h16-17H,3-15H2,1-2H3 |
| InChIKey | PCFDVEUIBFZRGU-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8nalZYmZjK |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h16-17H,3-15H2,1-2H3 |
| InChIKey | PCFDVEUIBFZRGU-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(C1CCCCC1C(OCCCCCC)=O)(=O)OCCCCC |