| SpectraBase Compound ID | 2WT9OdenV9R |
|---|---|
| InChI | InChI=1S/C18H28O3/c1-5-14(6-2)11-12-16(7-3)21-18(19)15-9-8-10-17(13-15)20-4/h8-10,13-14,16H,5-7,11-12H2,1-4H3 |
| InChIKey | MQIGGQPQPCADKD-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 | 6cZssp4YKDH |
|---|---|
| Name | 3-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)11-12-16(7-3)21-18(19)15-9-8-10-17(13-15)20-4/h8-10,13-14,16H,5-7,11-12H2,1-4H3 |
| InChIKey | MQIGGQPQPCADKD-UHFFFAOYSA-N |
| Molecular Weight | 292.419 g/mol |
| SMILES | C(OC(C1=CC=CC(=C1)OC)=O)(CCC(CC)CC)CC |