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2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]benzoic acid
SpectraBase Compound ID 9VY50jDMDes
InChI InChI=1S/C14H7F3N2O6S/c15-14(16,17)7-5-9(18(22)23)12(10(6-7)19(24)25)26-11-4-2-1-3-8(11)13(20)21/h1-6H,(H,20,21)
InChIKey IKWFQXGEZRZQLT-UHFFFAOYSA-N
Mol Weight 388.27 g/mol
Molecular Formula C14H7F3N2O6S
Exact Mass 387.997692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NoFu6hbnef
Name 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7F3N2O6S
InChI InChI=1S/C14H7F3N2O6S/c15-14(16,17)7-5-9(18(22)23)12(10(6-7)19(24)25)26-11-4-2-1-3-8(11)13(20)21/h1-6H,(H,20,21)
InChIKey IKWFQXGEZRZQLT-UHFFFAOYSA-N
Molecular Weight 388.273 g/mol
SMILES OC(c1c(Sc2c(N(=O)=O)cc(C(F)(F)F)cc2N(=O)=O)cccc1)=O
SPLASH splash10-014i-4950000000-c704ab243742853c7f37
Wiley ID 1451176