SpectraBase Spectrum ID |
FbOb3hsNCl7 |
Name |
3-[(2-[(4-Chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.065590179 u |
Formula |
C18H16ClFN2OS |
InChI |
InChI=1S/C18H16ClFN2OS/c19-14-4-8-16(9-5-14)21-18-22(10-1-11-23)17(12-24-18)13-2-6-15(20)7-3-13/h2-9,12,23H,1,10-11H2/b21-18- |
InChIKey |
BNMWOUDXLMRNEP-UZYVYHOESA-N |
Molecular Weight |
362.850 g/mol |
SMILES |
C=1(N(\C(SC1)=N\C=1C=CC(=CC1)Cl)CCCO)C1=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912834 |