| SpectraBase Compound ID | 7kgy4nHuPRy |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-5-12(6-2)15(16)18-14-10-8-7-9-13(14)17-11(3)4/h7-12H,5-6H2,1-4H3 |
| InChIKey | IVQRBGDGXBQSDI-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 | 2X7NN12Oo3C |
|---|---|
| Name | 2-Ethylbutyric acid, 2-isopropoxyphenyl 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/c1-5-12(6-2)15(16)18-14-10-8-7-9-13(14)17-11(3)4/h7-12H,5-6H2,1-4H3 |
| InChIKey | IVQRBGDGXBQSDI-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C(=O)(OC1=CC=CC=C1OC(C)C)C(CC)CC |