| SpectraBase Compound ID | 8IdE1dPZuIO |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-6-19-15(17)14(16(2,3)4)11-12-8-7-9-13(10-12)18-5/h7-10,14H,6,11H2,1-5H3 |
| InChIKey | HMBHVKZXDWKOFC-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Y0dEjG98UF |
|---|---|
| Name | Benzenepropanoic acid, .alpha.-(1,1-dimethylethyl)-3-methoxy-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-6-19-15(17)14(16(2,3)4)11-12-8-7-9-13(10-12)18-5/h7-10,14H,6,11H2,1-5H3 |
| InChIKey | HMBHVKZXDWKOFC-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C(C(=O)OCC)(C(C)(C)C)CC=1C=C(OC)C=CC1 |