| SpectraBase Compound ID | 763L8EHJ2o7 |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-5-8-13-22-18(20)16-11-6-7-12-17(16)19(21)23-14-9-10-15(2)3/h15-17H,4-14H2,1-3H3 |
| InChIKey | VBWRYUFWLNSTMW-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 | GfxKZdMx6zI |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isohexyl 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/c1-4-5-8-13-22-18(20)16-11-6-7-12-17(16)19(21)23-14-9-10-15(2)3/h15-17H,4-14H2,1-3H3 |
| InChIKey | VBWRYUFWLNSTMW-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(C1CCCCC1C(OCCCC(C)C)=O)(=O)OCCCCC |