| SpectraBase Spectrum ID |
1Q16R0HxU69 |
| Name |
5-(Dichloromethylene)-2,2,4,4-tetramethyl-cyclopentane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.021435024 u |
| Formula |
C10H12Cl2O2 |
| InChI |
InChI=1S/C10H12Cl2O2/c1-9(2)5(7(11)12)6(13)10(3,4)8(9)14/h1-4H3 |
| InChIKey |
UOUVTIFMSRXAFI-UHFFFAOYSA-N |
| Molecular Weight |
235.110 g/mol |
| SMILES |
C1(C(C(C)(C)C(C1(C)C)=O)=O)=C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845308 |
