| SpectraBase Spectrum ID |
7kBfxSY3ijQ |
| Name |
Ethyl-6-phenyl-3E,5E-hexadienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h3-11H,2,12H2,1H3/b8-4+,11-7+ |
| InChIKey |
CTMJAAOGWZZUOQ-RIALUSDFSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C(=O)(C\C=C\C=C\C1=CC=CC=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982914 |
