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3,5-Dinitro-N-[2-thioxo-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-4-ylmethyl]-benzamide
SpectraBase Compound ID 1kBq0fszkXM
InChI InChI=1S/C18H11F3N4O5S2/c19-18(20,21)11-2-1-3-12(6-11)23-15(9-32-17(23)31)8-22-16(26)10-4-13(24(27)28)7-14(5-10)25(29)30/h1-7,9H,8H2,(H,22,26)
InChIKey ANADTWWDAUTPDF-UHFFFAOYSA-N
Mol Weight 484.42 g/mol
Molecular Formula C18H11F3N4O5S2
Exact Mass 484.012296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPSH4OSn4fd
Name 3,5-Dinitro-N-[2-thioxo-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-4-ylmethyl]-benzamide
Alternate Name(s) 3,5-Dinitro-N-((2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydrothiazol-4-yl)methyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11F3N4O5S2
InChI InChI=1S/C18H11F3N4O5S2/c19-18(20,21)11-2-1-3-12(6-11)23-15(9-32-17(23)31)8-22-16(26)10-4-13(24(27)28)7-14(5-10)25(29)30/h1-7,9H,8H2,(H,22,26)
InChIKey ANADTWWDAUTPDF-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200004)342_4_355
Molecular Weight 484.424 g/mol
SMILES N(CC=1N(C(SC1)=S)c1cc(ccc1)C(F)(F)F)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
SPLASH splash10-001a-2980800000-0721af5f988d5dee652a
Source of Spectrum JF-342-369-15a
Wiley ID 1766936