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#15A;4-[(4-METHOXYBENZYLIDENE)-AMINO]-5-(4-CHLOROPHENYL)-2-[[4-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-5-THIOXO-4,5-DIHYDRO-1,3,4-OXADIAZOL-2-YL]-METHYL]-2,4-DIHYDRO
SpectraBase Compound ID GDJWBjKrYyx
InChI InChI=1S/C25H27ClN8O3S/c1-30-11-13-31(14-12-30)17-33-25(38)37-22(28-33)16-32-24(35)34(23(29-32)19-5-7-20(26)8-6-19)27-15-18-3-9-21(36-2)10-4-18/h3-10,15H,11-14,16-17H2,1-2H3/b27-15-
InChIKey XAWUTJGPQHBHRC-DICXZTSXSA-N
Mol Weight 555.06 g/mol
Molecular Formula C25H27ClN8O3S
Exact Mass 554.161536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TIyBSZVa1Z
Name #15A;4-[(4-METHOXYBENZYLIDENE)-AMINO]-5-(4-CHLOROPHENYL)-2-[[4-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-5-THIOXO-4,5-DIHYDRO-1,3,4-OXADIAZOL-2-YL]-METHYL]-2,4-DIHYDRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27ClN8O3S
InChI InChI=1S/C25H27ClN8O3S/c1-30-11-13-31(14-12-30)17-33-25(38)37-22(28-33)16-32-24(35)34(23(29-32)19-5-7-20(26)8-6-19)27-15-18-3-9-21(36-2)10-4-18/h3-10,15H,11-14,16-17H2,1-2H3/b27-15-
InChIKey XAWUTJGPQHBHRC-DICXZTSXSA-N
Literature Reference Author H.BEKTAS,N.KARAALI,D.SAHIN,A.DEMIRBAS,S.A.KARAOGLU,N.DEMIRBA S
Literature Reference Citation MOLECULES,15,2427(2010)
Literature Reference DOI 10.3390/molecules15042427
Molecular Weight 555.054 g/mol
Sample ID 70260
Solvent DMSO-D6