| SpectraBase Spectrum ID |
JCPdcoAI3Qk |
| Name |
(Z)-3-Phenylnon-2-en-4-ynoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839508 |
