| SpectraBase Compound ID | Cg1WmFake22 |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17-4-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | BDLLUXUNYYZWEX-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lR0CSJXpil |
|---|---|
| Name | 4-Hexyloxybenzoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-3-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17-4-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | BDLLUXUNYYZWEX-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)OCCCCCC |