SpectraBase Spectrum ID |
2k0DNwbkidQ |
Name |
1-(4-Chlorophenyl)-N-(1-[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]propan-2-yl)methanimine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
397.125627595 u |
Formula |
C20H22ClF2NO3 |
InChI |
InChI=1S/C20H22ClF2NO3/c1-13(24-11-14-4-6-16(21)7-5-14)8-15-9-17(25-2)20(18(10-15)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+ |
InChIKey |
PCSLWXLESMUKIO-BHGWPJFGSA-N |
Molecular Weight |
397.850 g/mol |
SMILES |
C1(=C(C=C(C=C1OC)CC(\N=C\C=1C=CC(=CC1)Cl)C)OC)OCC(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93497 |