SpectraBase Spectrum ID |
kE3kKrUCuM |
Name |
4-[(2,3,5,6-Tetrafluor-4-methylphenyl)-hydrazonomethyl]-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-2-thione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
465.020436823 u |
Formula |
C18H10F7N3S2 |
InChI |
InChI=1S/C18H10F7N3S2/c1-8-12(19)14(21)16(15(22)13(8)20)27-26-6-11-7-30-17(29)28(11)10-4-2-3-9(5-10)18(23,24)25/h2-7,27H,1H3/b26-6+ |
InChIKey |
UPDOODMSRFUMIY-GOTRBWPWSA-N |
Molecular Weight |
465.408 g/mol |
SMILES |
C1(SC=C(N1C=1C=C(C=CC1)C(F)(F)F)\C=N\NC=1C(=C(C(=C(C1F)F)C)F)F)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940224 |