| SpectraBase Spectrum ID |
Kp7brzH6xZ1 |
| Name |
3-Isopropyl-4,4-dimethoxy-6-methylcyclohexa-2,5-dienone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-8(2)10-6-11(13)9(3)7-12(10,14-4)15-5/h6-8H,1-5H3 |
| InChIKey |
ALETXGGSAOTTTE-UHFFFAOYSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C1(C(=CC(C(=C1)C)=O)C(C)C)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948085 |
