| SpectraBase Compound ID | 3wgwEU7LKx9 |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-2-3-4-8-14-24-20(22)18-12-9-13-19(15-18)21(23)25-16-17-10-6-5-7-11-17/h9,12-13,15,17H,2-8,10-11,14,16H2,1H3 |
| InChIKey | FOSHKIVRCKVXKF-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ezhd2y5mlZ0 |
|---|---|
| Name | Isophthalic acid, cyclohexylmethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-2-3-4-8-14-24-20(22)18-12-9-13-19(15-18)21(23)25-16-17-10-6-5-7-11-17/h9,12-13,15,17H,2-8,10-11,14,16H2,1H3 |
| InChIKey | FOSHKIVRCKVXKF-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1(CCCCC1)COC(C1=CC(C(OCCCCCC)=O)=CC=C1)=O |