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2-[(4-ETHYLPHENOXY)-METHYL]-N-(3-NITRO-4-METHYLPHENYLCARBAMOTHIOYL)-BENZAMIDE
SpectraBase Compound ID 2e6l6dGjQ8G
InChI InChI=1S/C24H23N3O4S/c1-3-17-9-12-20(13-10-17)31-15-18-6-4-5-7-21(18)23(28)26-24(32)25-19-11-8-16(2)22(14-19)27(29)30/h4-14H,3,15H2,1-2H3,(H2,25,26,28,32)
InChIKey GZEFOXGXZWAVMF-UHFFFAOYSA-N
Mol Weight 449.53 g/mol
Molecular Formula C24H23N3O4S
Exact Mass 449.140927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qWTQpygMC4
Name 2-[(4-ETHYLPHENOXY)-METHYL]-N-(3-NITRO-4-METHYLPHENYLCARBAMOTHIOYL)-BENZAMIDE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H23N3O4S
InChI InChI=1S/C24H23N3O4S/c1-3-17-9-12-20(13-10-17)31-15-18-6-4-5-7-21(18)23(28)26-24(32)25-19-11-8-16(2)22(14-19)27(29)30/h4-14H,3,15H2,1-2H3,(H2,25,26,28,32)
InChIKey GZEFOXGXZWAVMF-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 449.524 g/mol
Solvent DMSO-D6
Source File Reference UWIR15086