| SpectraBase Compound ID | BOZiog2zsgh |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-4-5-12-6-8-13(9-7-12)14(15)17-11-10-16-2/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey | UCDABESDDFRTSQ-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKwlpL5qro7 |
|---|---|
| Name | 4-Butylbenzoic acid, 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-3-4-5-12-6-8-13(9-7-12)14(15)17-11-10-16-2/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey | UCDABESDDFRTSQ-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OCCOC)=O |