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2-[(4-METHYLPHENOXY)-METHYL]-N-(2,4-DIBROMOPHENYLCARBAMOTHIOYL)-BENZAMIDE
SpectraBase Compound ID zvBVdlY9el
InChI InChI=1S/C22H18Br2N2O2S/c1-14-6-9-17(10-7-14)28-13-15-4-2-3-5-18(15)21(27)26-22(29)25-20-11-8-16(23)12-19(20)24/h2-12H,13H2,1H3,(H2,25,26,27,29)
InChIKey YVTXKQHUYDNWFM-UHFFFAOYSA-N
Mol Weight 534.27 g/mol
Molecular Formula C22H18Br2N2O2S
Exact Mass 531.945575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQIhTWMEEpX
Name 2-[(4-METHYLPHENOXY)-METHYL]-N-(2,4-DIBROMOPHENYLCARBAMOTHIOYL)-BENZAMIDE
Compound Number 1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18Br2N2O2S
InChI InChI=1S/C22H18Br2N2O2S/c1-14-6-9-17(10-7-14)28-13-15-4-2-3-5-18(15)21(27)26-22(29)25-20-11-8-16(23)12-19(20)24/h2-12H,13H2,1H3,(H2,25,26,27,29)
InChIKey YVTXKQHUYDNWFM-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 534.265 g/mol
Sample ID 140
Solvent DMSO-D6