![Ethyl (Z)-3-methyl-3-[4'-(4""-oxopentyl)phenyl]prop-2-enoate](/api/spectrum/3oX8ZBT6fXU/structure.png?h=300&w=458 "Ethyl (Z)-3-methyl-3-[4'-(4\"\"-oxopentyl)phenyl]prop-2-enoate")
| SpectraBase Compound ID | 2kUKZx8uEgw |
|---|---|
| InChI | InChI=1S/C17H22O3/c1-4-20-17(19)12-13(2)16-11-6-5-9-15(16)10-7-8-14(3)18/h5-6,9,11-12H,4,7-8,10H2,1-3H3/b13-12+ |
| InChIKey | UMSGNAQMXRMGAW-OUKQBFOZSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C17H22O3 |
| Exact Mass | 274.156895 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 | 3oX8ZBT6fXU |
|---|---|
| Name | Ethyl (Z)-3-methyl-3-[4'-(4""-oxopentyl)phenyl]prop-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.156894565 u |
| Formula | C17H22O3 |
| InChI | InChI=1S/C17H22O3/c1-4-20-17(19)12-13(2)16-11-6-5-9-15(16)10-7-8-14(3)18/h5-6,9,11-12H,4,7-8,10H2,1-3H3/b13-12+ |
| InChIKey | UMSGNAQMXRMGAW-OUKQBFOZSA-N |
| Molecular Weight | 274.360 g/mol |
| SMILES | C(\C=C\(C=1C(CCCC(=O)C)=CC=CC1)C)(=O)OCC |