| SpectraBase Compound ID | 7QEOpAeBmaT |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3 |
| InChIKey | YWDODIGQFZJVMR-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 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 | JO7lbfosTmA |
|---|---|
| Name | Ethyl 3-hydroxy-3-methyl-5-phenyl-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3 |
| InChIKey | YWDODIGQFZJVMR-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(O)(CC(=O)OCC)(C)CCC1=CC=CC=C1 |