| SpectraBase Compound ID | 6n9jZyRS99c |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-4-15-12(14)13(2,3)10-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3 |
| InChIKey | RZDKEXUVTRLISO-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gpFt3Bn06e |
|---|---|
| Name | Benzenepropanoic acid, .alpha.,.alpha.-dimethyl-, ethenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-4-15-12(14)13(2,3)10-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3 |
| InChIKey | RZDKEXUVTRLISO-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(C(=O)OC=C)(CC=1C=CC=CC1)(C)C |