| SpectraBase Compound ID | 7hUrMuADVMY |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-6-7-10-14-20-16(18)12-8-9-13-17(19)21-15(3)11-5-2/h5,15H,2,4,6-14H2,1,3H3 |
| InChIKey | OUIYVRMGRZVNBY-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 | 10y5S4AB3gs |
|---|---|
| Name | Adipic acid, hexyl pent-4-en-2-yl 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/c1-4-6-7-10-14-20-16(18)12-8-9-13-17(19)21-15(3)11-5-2/h5,15H,2,4,6-14H2,1,3H3 |
| InChIKey | OUIYVRMGRZVNBY-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C)CC=C)=O)CC(OCCCCCC)=O |