| SpectraBase Spectrum ID |
CDo8ukh5Gpa |
| Name |
(2E)-2-(Phenylmethylene)butanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+ |
| InChIKey |
CMDBGQQPIQOIAK-ZRDIBKRKSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C(\C(=C\C=1C=CC=CC1)CC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977466 |
