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2-[(4-ETHYLPHENOXY)-METHYL]-N-(3,4,5-TRICHLOROPHENYLCARBAMOTHIOYL)-BENZAMIDE
SpectraBase Compound ID BYf6QHNyALe
InChI InChI=1S/C23H19Cl3N2O2S/c1-2-14-7-9-17(10-8-14)30-13-15-5-3-4-6-18(15)22(29)28-23(31)27-16-11-19(24)21(26)20(25)12-16/h3-12H,2,13H2,1H3,(H2,27,28,29,31)
InChIKey CPGHLTLQOCNYMY-UHFFFAOYSA-N
Mol Weight 493.84 g/mol
Molecular Formula C23H19Cl3N2O2S
Exact Mass 492.023282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVSgJpCoqeB
Name 2-[(4-ETHYLPHENOXY)-METHYL]-N-(3,4,5-TRICHLOROPHENYLCARBAMOTHIOYL)-BENZAMIDE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H19Cl3N2O2S
InChI InChI=1S/C23H19Cl3N2O2S/c1-2-14-7-9-17(10-8-14)30-13-15-5-3-4-6-18(15)22(29)28-23(31)27-16-11-19(24)21(26)20(25)12-16/h3-12H,2,13H2,1H3,(H2,27,28,29,31)
InChIKey CPGHLTLQOCNYMY-UHFFFAOYSA-N
Literature Reference Author C.LIMBAN,A.V.MISSIR,A.M.GRUMEZESCU,A.E.OPREA,V.GRUMEZESCU,B. S.VASILE,G.SOCOL
Literature Reference Citation MOLECULES,19,12011(2014)
Literature Reference DOI 10.3390/molecules190812011
Molecular Weight 493.835 g/mol
Solvent DMSO-D6
Source File Reference UWIR15087