| SpectraBase Compound ID | DIAeGoeNqg7 |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-4-16(5-2)12-14-18(6-3)21-19(20)15-13-17-10-8-7-9-11-17/h7-11,16,18H,4-6,12-15H2,1-3H3 |
| InChIKey | HHOWXWFHSYSHCG-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 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 | L4fDeMkZcNo |
|---|---|
| Name | Benzenepropanoic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-4-16(5-2)12-14-18(6-3)21-19(20)15-13-17-10-8-7-9-11-17/h7-11,16,18H,4-6,12-15H2,1-3H3 |
| InChIKey | HHOWXWFHSYSHCG-UHFFFAOYSA-N |
| SMILES | C1=CC(CCC(OC(CC)CCC(CC)CC)=O)=CC=C1 |