| SpectraBase Compound ID | 73kAqdunjFz |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-19(16-6-3)22-20(21)18-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | GYIIKANRYLADQO-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C20H40O2 |
| Exact Mass | 312.302831 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 | AukoBtVFQhD |
|---|---|
| Name | Valeric acid, 4-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.302830526 u |
| Formula | C20H40O2 |
| InChI | InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-19(16-6-3)22-20(21)18-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | GYIIKANRYLADQO-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(CC(OC(CCCCCCCCCCC)CCC)=O)CC |