| SpectraBase Compound ID | IjA9W2ZYdRm |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-22-18(20)16-7-5-6-8-17(16)19(21)23-15-11-9-14(10-12-15)13(2)3/h9-13,16-17H,4-8H2,1-3H3 |
| InChIKey | BCBDQFQRRMJRKG-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 | 4QdN6xg23XQ |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl 4-isopropylphenyl 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/c1-4-22-18(20)16-7-5-6-8-17(16)19(21)23-15-11-9-14(10-12-15)13(2)3/h9-13,16-17H,4-8H2,1-3H3 |
| InChIKey | BCBDQFQRRMJRKG-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | CC(C)C1=CC=C(OC(C2CCCCC2C(OCC)=O)=O)C=C1 |