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4-[(2,3,5,6-Tetrafluor-4-methylphenyl)-hydrazonomethyl]-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-2-thione
SpectraBase Compound ID 4h9bqsJJFP8
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
Mol Weight 465.41 g/mol
Molecular Formula C18H10F7N3S2
Exact Mass 465.020437 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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