| SpectraBase Spectrum ID |
3AUYsMmcASM |
| Name |
2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dimethoxy-1-(1-methylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-8(2)12(11(13)14)6-9(15-3)5-10(7-12)16-4/h6-8H,5H2,1-4H3,(H,13,14) |
| InChIKey |
WZJFBPCXCAGUKF-UHFFFAOYSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
OC(C1(C=C(CC(=C1)OC)OC)C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.86612 |
