| SpectraBase Compound ID | IgYkyavzntz |
|---|---|
| InChI | InChI=1S/C20H20O2/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,1-3H3 |
| InChIKey | HJMFRTLALKMSEJ-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C20H20O2 |
| Exact Mass | 292.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nM4SsE77um |
|---|---|
| Name | Benzeneacetic acid, .alpha.-phenyl-, 3,3-dimethyl-1-butynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.146329882 u |
| Formula | C20H20O2 |
| InChI | InChI=1S/C20H20O2/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,1-3H3 |
| InChIKey | HJMFRTLALKMSEJ-UHFFFAOYSA-N |
| Molecular Weight | 292.378 g/mol |
| SMILES | C(#CC(C)(C)C)OC(C(C=1C=CC=CC1)C1=CC=CC=C1)=O |