| SpectraBase Spectrum ID |
H344ots8I0X |
| Name |
2-Acetyl-3,5-dihydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.089208927 u |
| Formula |
C11H14O4 |
| InChI |
InChI=1S/C11H14O4/c1-5-8(13)7(6(2)12)10(15)11(3,4)9(5)14/h14-15H,1-4H3 |
| InChIKey |
AGZDIKCMKAWDMW-UHFFFAOYSA-N |
| Molecular Weight |
210.229 g/mol |
| SMILES |
OC=1C(C(=C(C(C1C(C)=O)=O)C)O)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.980775 |
