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2-[(4-METHYLPHENOXY)-METHYL]-N-(2-IODOPHENYLCARBAMOTHIOYL)-BENZAMIDE

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2-[(4-METHYLPHENOXY)-METHYL]-N-(2-IODOPHENYLCARBAMOTHIOYL)-BENZAMIDE
SpectraBase Compound ID BkEU3T0nWfU
InChI InChI=1S/C22H19IN2O2S/c1-15-10-12-17(13-11-15)27-14-16-6-2-3-7-18(16)21(26)25-22(28)24-20-9-5-4-8-19(20)23/h2-13H,14H2,1H3,(H2,24,25,26,28)
InChIKey VZZQYGQRFWILHC-UHFFFAOYSA-N
Mol Weight 502.37 g/mol
Molecular Formula C22H19IN2O2S
Exact Mass 502.021194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1t22ltGLbwx
Name 2-[(4-METHYLPHENOXY)-METHYL]-N-(2-IODOPHENYLCARBAMOTHIOYL)-BENZAMIDE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19IN2O2S
InChI InChI=1S/C22H19IN2O2S/c1-15-10-12-17(13-11-15)27-14-16-6-2-3-7-18(16)21(26)25-22(28)24-20-9-5-4-8-19(20)23/h2-13H,14H2,1H3,(H2,24,25,26,28)
InChIKey VZZQYGQRFWILHC-UHFFFAOYSA-N
Literature Reference Author C.LIMBAN,L.MARUTESCU,M.C.CHIFIRIUC
Literature Reference Citation MOLECULES,16,7593(2011)
Literature Reference DOI 10.3390/molecules16097593
Molecular Weight 502.370 g/mol
Sample ID 142
Solvent DMSO-D6