| SpectraBase Compound ID | 3jjPyRbftc8 |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-2-3-8-13-20-16(18)11-6-7-12-17(19)21-14-15-9-4-5-10-15/h15H,2-14H2,1H3 |
| InChIKey | NXMYZXOPAVTJOO-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 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 | Jl0dfWRKa2k |
|---|---|
| Name | Adipic acid, cyclopentylmethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-2-3-8-13-20-16(18)11-6-7-12-17(19)21-14-15-9-4-5-10-15/h15H,2-14H2,1H3 |
| InChIKey | NXMYZXOPAVTJOO-UHFFFAOYSA-N |
| SMILES | C1CC(COC(=O)CCCCC(OCCCCC)=O)CC1 |