| SpectraBase Compound ID | 7TIKCFU2EMD |
|---|---|
| InChI | InChI=1S/C17H20O2/c1-3-5-6-8-13-16(14-17(18)19-4-2)15-11-9-7-10-12-15/h7,9-12,14H,3-6H2,1-2H3/b16-14+ |
| InChIKey | SMBYHGYUBVZUEL-JQIJEIRASA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C17H20O2 |
| Exact Mass | 256.14633 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 | 7DD06TlP6iJ |
|---|---|
| Name | (Z)-3-Phenylnon-2-en-4-ynoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.146329882 u |
| Formula | C17H20O2 |
| InChI | InChI=1S/C17H20O2/c1-3-5-6-8-13-16(14-17(18)19-4-2)15-11-9-7-10-12-15/h7,9-12,14H,3-6H2,1-2H3/b16-14+ |
| InChIKey | SMBYHGYUBVZUEL-JQIJEIRASA-N |
| Molecular Weight | 256.345 g/mol |
| SMILES | C(\C=C/(C#CCCCC)C=1C=CC=CC1)(=O)OCC |