| SpectraBase Compound ID | 9NE3DKDVN0V |
|---|---|
| InChI | InChI=1S/C18H28O3/c1-5-14(6-2)8-11-16(7-3)21-18(19)15-9-12-17(20-4)13-10-15/h9-10,12-14,16H,5-8,11H2,1-4H3 |
| InChIKey | ONVOSLVLWQLZCP-UHFFFAOYSA-N |
| Mol Weight | 292.42 g/mol |
| Molecular Formula | C18H28O3 |
| Exact Mass | 292.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeVs1L16Nf2 |
|---|---|
| Name | 4-Methoxybenzoic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.203844759 u |
| Formula | C18H28O3 |
| InChI | InChI=1S/C18H28O3/c1-5-14(6-2)8-11-16(7-3)21-18(19)15-9-12-17(20-4)13-10-15/h9-10,12-14,16H,5-8,11H2,1-4H3 |
| InChIKey | ONVOSLVLWQLZCP-UHFFFAOYSA-N |
| Molecular Weight | 292.419 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)OC)=O)(CCC(CC)CC)CC |