| SpectraBase Spectrum ID |
7j3cfAxmzLe |
| Name |
1-(3-(Tert-butyl)phenyl)-2-chloro-2,2-difluoroethan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.062299064 u |
| Formula |
C12H13ClF2O |
| InChI |
InChI=1S/C12H13ClF2O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3 |
| InChIKey |
MGGAIICFTYAGKJ-UHFFFAOYSA-N |
| Molecular Weight |
246.685 g/mol |
| SMILES |
C(C(Cl)(F)F)(C=1C=C(C=CC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883182 |
