| SpectraBase Spectrum ID |
ExbFuqYQAMy |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2-(2-methoxy-5-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.078644243 u |
| Formula |
C14H12O3 |
| InChI |
InChI=1S/C14H12O3/c1-9-3-6-14(17-2)12(7-9)11-8-10(15)4-5-13(11)16/h3-8H,1-2H3 |
| InChIKey |
ORDSMRAGMZPBCE-UHFFFAOYSA-N |
| Molecular Weight |
228.247 g/mol |
| SMILES |
C1(C=2C(=CC=C(C2)C)OC)=CC(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951154 |
