| SpectraBase Compound ID | 9lO7jyqPxJ6 |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-5-15(6-2)10-13-17(7-3)20-18(19)16-11-8-14(4)9-12-16/h8-9,11-12,15,17H,5-7,10,13H2,1-4H3 |
| InChIKey | AQDJUZJZBUXKJY-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdbwCxgEdFj |
|---|---|
| Name | p-Toluic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-5-15(6-2)10-13-17(7-3)20-18(19)16-11-8-14(4)9-12-16/h8-9,11-12,15,17H,5-7,10,13H2,1-4H3 |
| InChIKey | AQDJUZJZBUXKJY-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)C)=O)(CC)CCC(CC)CC |