| SpectraBase Compound ID | AtYRpF833YI |
|---|---|
| InChI | InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-14-21-18(19)16-12-11-13-17(15-16)20-2/h11-13,15H,3-10,14H2,1-2H3 |
| InChIKey | KNUKZBZOCHMAEK-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 | KbDGdTNSdQh |
|---|---|
| Name | Benzoic acid, 3-methoxy-, decyl 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/c1-3-4-5-6-7-8-9-10-14-21-18(19)16-12-11-13-17(15-16)20-2/h11-13,15H,3-10,14H2,1-2H3 |
| InChIKey | KNUKZBZOCHMAEK-UHFFFAOYSA-N |
| Molecular Weight | 292.419 g/mol |
| SMILES | C(OCCCCCCCCCC)(=O)C1=CC(OC)=CC=C1 |