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N-(4-ISOTHIOCYANATO-2-HYDROXYPHENYL)-2-[(TRIPHENYLMETHYLTHIO)-METHYLCARBONYLAMINO]-ETHANAMIDE

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N-(4-ISOTHIOCYANATO-2-HYDROXYPHENYL)-2-[(TRIPHENYLMETHYLTHIO)-METHYLCARBONYLAMINO]-ETHANAMIDE
SpectraBase Compound ID DFiM3TIhpKP
InChI InChI=1S/C30H25N3O3S2/c34-27-17-16-25(32-21-37)18-26(27)33-28(35)19-31-29(36)20-38-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18,34H,19-20H2,(H,31,36)(H,33,35)
InChIKey LKXXJTMREMCRKN-UHFFFAOYSA-N
Mol Weight 539.67 g/mol
Molecular Formula C30H25N3O3S2
Exact Mass 539.133734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLyM5XYlcRk
Name N-(4-ISOTHIOCYANATO-2-HYDROXYPHENYL)-2-[(TRIPHENYLMETHYLTHIO)-METHYLCARBONYLAMINO]-ETHANAMIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H25N3O3S2
InChI InChI=1S/C30H25N3O3S2/c34-27-17-16-25(32-21-37)18-26(27)33-28(35)19-31-29(36)20-38-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18,34H,19-20H2,(H,31,36)(H,33,35)
InChIKey LKXXJTMREMCRKN-UHFFFAOYSA-N
Literature Reference Author J.L.GAL,E.BENOIST
Literature Reference Citation EUR.J.ORG.CHEM.,1483(2006)
Molecular Weight 539.667 g/mol
Sample ID 32013
Solvent DMSO-D6