| SpectraBase Compound ID | 6qaUlL9Z7Jv |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-23-18-15-14-17-22(23)2/h22-23H,3-21H2,1-2H3 |
| InChIKey | MEKHZYAKHOFFJO-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 23wCM17nJiH |
|---|---|
| Name | Succinic acid, 2-methylcyclohexyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-23-18-15-14-17-22(23)2/h22-23H,3-21H2,1-2H3 |
| InChIKey | MEKHZYAKHOFFJO-UHFFFAOYSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCCCCCCOC(CCC(OC1C(CCCC1)C)=O)=O)CCCCCC |