| SpectraBase Compound ID | ITqRwi6hrYo |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-5-6-13-7-9-14(10-8-13)15(16)18-12-11-17-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | VTOOUIUKLJCQFE-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 | HJVuG6HhujR |
|---|---|
| Name | 4-Butylbenzoic acid, 2-ethoxyethyl 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/c1-3-5-6-13-7-9-14(10-8-13)15(16)18-12-11-17-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | VTOOUIUKLJCQFE-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OCCOCC)=O |