| SpectraBase Compound ID | B1hws7MJk4k |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-9-8-12(2)13(3)10-16/h5-7,11-13,16H,4,8-10H2,1-3H3 |
| InChIKey | VOLFDAZXHNGGLK-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 | 7YcjVtR9MCL |
|---|---|
| Name | Isophthalic acid, 3,4-dimethylcyclohexyl 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)14-6-5-7-15(11-14)18(20)22-16-9-8-12(2)13(3)10-16/h5-7,11-13,16H,4,8-10H2,1-3H3 |
| InChIKey | VOLFDAZXHNGGLK-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCC)=O)(OC1CCC(C(C1)C)C)=O |