| SpectraBase Compound ID | L2Ia0oLnJQo |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-4-17-14(16)12(10(2)3)13(15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3 |
| InChIKey | UGTMAJYTSABYPQ-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8QBIDaTVLn6 |
|---|---|
| Name | 2-Benzoyl-3-methyl-2-butenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-4-17-14(16)12(10(2)3)13(15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3 |
| InChIKey | UGTMAJYTSABYPQ-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)(C(=O)OCC)=C(C)C |