| SpectraBase Compound ID | 8OLDMuaLhRr |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-5-15(6-2)11-14-18(8-4)21-19(20)17-12-9-16(7-3)10-13-17/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3 |
| InChIKey | JJWGMSOTNCHSEJ-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79czesuVuy4 |
|---|---|
| Name | 4-Ethylbenzoic 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/c1-5-15(6-2)11-14-18(8-4)21-19(20)17-12-9-16(7-3)10-13-17/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3 |
| InChIKey | JJWGMSOTNCHSEJ-UHFFFAOYSA-N |
| SMILES | C(OC(C1=CC=C(C=C1)CC)=O)(CCC(CC)CC)CC |