SpectraBase Spectrum ID |
EJkl2E0P6i1 |
Name |
4-(2-Butenyl)-5-hydroxy-m-anisic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.089208927 u |
Formula |
C12H14O4 |
InChI |
InChI=1S/C12H14O4/c1-3-4-5-9-10(13)6-8(12(14)15)7-11(9)16-2/h3-4,6-7,13H,5H2,1-2H3,(H,14,15) |
InChIKey |
VENAAFUYLXNOEV-UHFFFAOYSA-N |
Molecular Weight |
222.240 g/mol |
SMILES |
OC(C1=CC(=C(C(=C1)O)CC=CC)OC)=O |
Spectrum/Structure Validation Score (Raman) |
0.969839 |