| SpectraBase Spectrum ID |
DIo4zMOAeEk |
| Name |
4-Hydroxy-3-(3-methylbut-2-enyl)benzoic acid, 2me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-10(2)5-6-11-9-12(14(15)17-4)7-8-13(11)16-3/h5,7-9H,6H2,1-4H3 |
| InChIKey |
FJHDDZHFDLDWMN-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C1=CC(=CC(=C1OC)CC=C(C)C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973697 |
