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#4A;N-(4-FLUOROPHENYL)-2-[2-[4-[4-[1-[2-[2-(4-FLUOROPHENYLCARBAMOTHIOYL)-HYDRAZINYL]-2-OXOETHYL]-3-METHYL-5-OXO-1,2,4-TRIAZOLE-4(5H)-YL]-BUTYL]-3-METHYL-5-OXO-

View entire compound with spectra: 1 NMR

#4A;N-(4-FLUOROPHENYL)-2-[2-[4-[4-[1-[2-[2-(4-FLUOROPHENYLCARBAMOTHIOYL)-HYDRAZINYL]-2-OXOETHYL]-3-METHYL-5-OXO-1,2,4-TRIAZOLE-4(5H)-YL]-BUTYL]-3-METHYL-5-OXO-
SpectraBase Compound ID BUDHYbNzrHN
InChI InChI=1S/C28H32F2N12O4S2/c1-17-37-41(15-23(43)33-35-25(47)31-21-9-5-19(29)6-10-21)27(45)39(17)13-3-4-14-40-18(2)38-42(28(40)46)16-24(44)34-36-26(48)32-22-11-7-20(30)8-12-22/h5-12H,3-4,13-16H2,1-2H3,(H,33,43)(H,34,44)(H2,31,35,47)(H2,32,36,48)
InChIKey GJATUEGRMVZFDV-UHFFFAOYSA-N
Mol Weight 702.8 g/mol
Molecular Formula C28H32F2N12O4S2
Exact Mass 702.207896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82wZNNUYHdo
Name #4A;N-(4-FLUOROPHENYL)-2-[2-[4-[4-[1-[2-[2-(4-FLUOROPHENYLCARBAMOTHIOYL)-HYDRAZINYL]-2-OXOETHYL]-3-METHYL-5-OXO-1,2,4-TRIAZOLE-4(5H)-YL]-BUTYL]-3-METHYL-5-OXO-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32F2N12O4S2
InChI InChI=1S/C28H32F2N12O4S2/c1-17-37-41(15-23(43)33-35-25(47)31-21-9-5-19(29)6-10-21)27(45)39(17)13-3-4-14-40-18(2)38-42(28(40)46)16-24(44)34-36-26(48)32-22-11-7-20(30)8-12-22/h5-12H,3-4,13-16H2,1-2H3,(H,33,43)(H,34,44)(H2,31,35,47)(H2,32,36,48)
InChIKey GJATUEGRMVZFDV-UHFFFAOYSA-N
Literature Reference Author E.DUGDU,Y.UNVER,D.UNLUER,K.SANCAK
Literature Reference Citation MOLECULES,19,2199(2014)
Literature Reference DOI 10.3390/molecules19022199
Molecular Weight 702.757 g/mol
Solvent DMSO-D6
Source File Reference UWBT14598