SpectraBase Spectrum ID |
BywVkxjnov9 |
Name |
3-[2-(Prop-2-en-1-yloxy)phenyl]prop-2-enoic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.078644243 u |
Formula |
C12H12O3 |
InChI |
InChI=1S/C12H12O3/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h2-8H,1,9H2,(H,13,14)/b8-7+ |
InChIKey |
JNLHYSQRNTVMGI-BQYQJAHWSA-N |
Molecular Weight |
204.225 g/mol |
SMILES |
C1=CC(=C(C=C1)\C=C\C(O)=O)OCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934186 |