| SpectraBase Compound ID | 3jfPiUzJFKh |
|---|---|
| InChI | InChI=1S/C21H38O5/c1-3-5-6-7-8-9-12-15-25-20(22)18-13-10-11-14-19(18)21(23)26-17-16-24-4-2/h18-19H,3-17H2,1-2H3 |
| InChIKey | BTTJSVRNGQSAGU-UHFFFAOYSA-N |
| Mol Weight | 370.5 g/mol |
| Molecular Formula | C21H38O5 |
| Exact Mass | 370.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wg7YmytMON |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.271924319 u |
| Formula | C21H38O5 |
| InChI | InChI=1S/C21H38O5/c1-3-5-6-7-8-9-12-15-25-20(22)18-13-10-11-14-19(18)21(23)26-17-16-24-4-2/h18-19H,3-17H2,1-2H3 |
| InChIKey | BTTJSVRNGQSAGU-UHFFFAOYSA-N |
| Molecular Weight | 370.530 g/mol |
| SMILES | CCCCCCCCCOC(C1C(C(=O)OCCOCC)CCCC1)=O |