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3-(2-[(4-chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl)-1-propanol
SpectraBase Compound ID Fce9SpHptrF
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
Mol Weight 362.85 g/mol
Molecular Formula C18H16ClFN2OS
Exact Mass 362.06559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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