| SpectraBase Compound ID | Dhu7NRmvwg6 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3 |
| InChIKey | BAJQPUFFJKFPLI-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 | I5ogCSaHy5E |
|---|---|
| Name | Isophthalic acid, 3,4-dimethylcyclohexyl 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/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3 |
| InChIKey | BAJQPUFFJKFPLI-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OC1CCC(C(C1)C)C)=O)(OCCC)=O |