| SpectraBase Compound ID | 1le1KXvjxZc |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-21-17(19)14-7-5-6-8-15(14)18(20)22-16-11-12(2)9-10-13(16)3/h9-11,14-15H,4-8H2,1-3H3 |
| InChIKey | BIDXSBNEBPNZMM-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GM0sjy6Ob2M |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-21-17(19)14-7-5-6-8-15(14)18(20)22-16-11-12(2)9-10-13(16)3/h9-11,14-15H,4-8H2,1-3H3 |
| InChIKey | BIDXSBNEBPNZMM-UHFFFAOYSA-N |
| SMILES | C1(=CC(C)=CC=C1C)OC(C1CCCCC1C(OCC)=O)=O |