| SpectraBase Spectrum ID |
57rVteX2CZn |
| Name |
2-(2'-Chloro-4',5'-difluorobenzoyl)-3-(cyclopropylamino)-2-cyclohexen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.068112719 u |
| Formula |
C16H14ClF2NO2 |
| InChI |
InChI=1S/C16H14ClF2NO2/c17-10-7-12(19)11(18)6-9(10)16(22)15-13(20-8-4-5-8)2-1-3-14(15)21/h6-8,20H,1-5H2 |
| InChIKey |
XCTCDFDHTWXYJE-UHFFFAOYSA-N |
| Molecular Weight |
325.743 g/mol |
| SMILES |
C1(C(C=2C(=CC(=C(C2)F)F)Cl)=O)=C(NC2CC2)CCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963237 |
