| SpectraBase Compound ID | FLNhclBxiuc |
|---|---|
| InChI | InChI=1S/C22H40O2/c1-3-5-9-12-18-15-20(18)17-21-16-19(21)13-10-7-6-8-11-14-22(23)24-4-2/h18-21H,3-17H2,1-2H3 |
| InChIKey | VWTMEKZAVOHMDQ-UHFFFAOYSA-N |
| Mol Weight | 336.6 g/mol |
| Molecular Formula | C22H40O2 |
| Exact Mass | 336.302831 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 | Br4u2JeHqNc |
|---|---|
| Name | Ethyl ester of 2-(2-pentylcyclopropylmethyl)cyclopropaneoctanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.302830526 u |
| Formula | C22H40O2 |
| InChI | InChI=1S/C22H40O2/c1-3-5-9-12-18-15-20(18)17-21-16-19(21)13-10-7-6-8-11-14-22(23)24-4-2/h18-21H,3-17H2,1-2H3 |
| InChIKey | VWTMEKZAVOHMDQ-UHFFFAOYSA-N |
| Molecular Weight | 336.560 g/mol |
| SMILES | C1(CC1CCCCCCCC(=O)OCC)CC1CC1CCCCC |