| SpectraBase Spectrum ID |
J2vdvdhJ9kq |
| Name |
3-(4-Methylphenyl)acrylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| InChI |
InChI=1S/C12H14O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey |
IMKVSWPEZCELRM-CMDGGOBGSA-N |
| Molecular Weight |
190.242 g/mol |
| SMILES |
C(OCC)(\C=C\C1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943392 |
