| SpectraBase Compound ID | IrWGygXQpdi |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-17-25-34-30(32)23-18-24-31(33)35-29(28-21-15-12-16-22-28)26-27-19-13-11-14-20-27/h12-13,15-16,19,21-22,27,29H,2-11,14,17-18,20,23-26H2,1H3 |
| InChIKey | CFXJMBINCWFHSX-UHFFFAOYSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C31H48O4 |
| Exact Mass | 484.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJhEw9xNhdz |
|---|---|
| Name | Glutaric acid, dodecyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.355260022 u |
| Formula | C31H48O4 |
| InChI | InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-17-25-34-30(32)23-18-24-31(33)35-29(28-21-15-12-16-22-28)26-27-19-13-11-14-20-27/h12-13,15-16,19,21-22,27,29H,2-11,14,17-18,20,23-26H2,1H3 |
| InChIKey | CFXJMBINCWFHSX-UHFFFAOYSA-N |
| Molecular Weight | 484.721 g/mol |
| SMILES | C1CC=CC(C1)CC(OC(=O)CCCC(OCCCCCCCCCCCC)=O)C1=CC=CC=C1 |