| SpectraBase Compound ID | DUUxA8CRx0t |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-4-6-7-13-8-10-14(11-9-13)15(16)17-12(3)5-2/h8-12H,4-7H2,1-3H3 |
| InChIKey | SFYTUQGWHZWCMU-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcVAnssF8qv |
|---|---|
| Name | 4-N-Butylbenzoic acid, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-4-6-7-13-8-10-14(11-9-13)15(16)17-12(3)5-2/h8-12H,4-7H2,1-3H3 |
| InChIKey | SFYTUQGWHZWCMU-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1=CC(C(OC(CC)C)=O)=CC=C1CCCC |