| SpectraBase Compound ID | BwMKDAngQDW |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-9-22-18(20)16-7-5-6-8-17(16)19(21)23-15-11-13(2)10-14(3)12-15/h10-12,16-17H,4-9H2,1-3H3 |
| InChIKey | HRMISBJONQOHMY-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqR9gF7vw9 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-4-9-22-18(20)16-7-5-6-8-17(16)19(21)23-15-11-13(2)10-14(3)12-15/h10-12,16-17H,4-9H2,1-3H3 |
| InChIKey | HRMISBJONQOHMY-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | CCCOC(C1C(C(=O)OC2=CC(=CC(=C2)C)C)CCCC1)=O |