| SpectraBase Spectrum ID |
3dvbzw8cRg7 |
| Name |
3-Tert-butyl-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 |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-9-8-13(15-5,16-6)11(7-10(9)14)12(2,3)4/h7-8H,1-6H3 |
| InChIKey |
NDQJCYRMZSALBP-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C1(C(=CC(C(=C1)C)=O)C(C)(C)C)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963639 |
