| SpectraBase Compound ID | 7OKXMjho8Id |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-8-22-18(20)15-6-5-7-16(12-15)19(21)23-17-10-13(2)9-14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3 |
| InChIKey | DVORXJJIBNDCJQ-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 | JTtR1U4NRkw |
|---|---|
| Name | Isophthalic acid, 3,5-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/c1-4-8-22-18(20)15-6-5-7-16(12-15)19(21)23-17-10-13(2)9-14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3 |
| InChIKey | DVORXJJIBNDCJQ-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCC)=O)C(OC1CC(C)CC(C)C1)=O |