| SpectraBase Compound ID | D9CVra1AW09 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-2-12-22-18(20)16-9-6-10-17(14-16)19(21)23-13-11-15-7-4-3-5-8-15/h6,9-10,14-15H,2-5,7-8,11-13H2,1H3 |
| InChIKey | MFKRLDKIUGBUCK-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 | KKdFglxQxhj |
|---|---|
| Name | Isophthalic acid, 2-cyclohexylethyl 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/c1-2-12-22-18(20)16-9-6-10-17(14-16)19(21)23-13-11-15-7-4-3-5-8-15/h6,9-10,14-15H,2-5,7-8,11-13H2,1H3 |
| InChIKey | MFKRLDKIUGBUCK-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1C(CCCC1)CCOC(C1=CC(C(OCCC)=O)=CC=C1)=O |