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ETHYL-4-AMINO-6-(4-METHYLPHENYL)-3-[ALPHA-(2-HYDRAZO-4,5,6,7-TETRA-HYDROBENZO-[B]-THIOPHENE-3-CARBOXYLATE)-ACETONITRILO]-1,2,4-TRIAZINE

View entire compound with spectra: 1 NMR

ETHYL-4-AMINO-6-(4-METHYLPHENYL)-3-[ALPHA-(2-HYDRAZO-4,5,6,7-TETRA-HYDROBENZO-[B]-THIOPHENE-3-CARBOXYLATE)-ACETONITRILO]-1,2,4-TRIAZINE
SpectraBase Compound ID 86QFRhdyMsF
InChI InChI=1S/2C23H25N7O2S/c2*1-3-32-23(31)20-16-6-4-5-7-19(16)33-22(20)29-26-17(12-24)21-28-27-18(13-30(21)25)15-10-8-14(2)9-11-15/h2*8-11,29H,3-7,13,25H2,1-2H3/b2*26-17+
InChIKey PMRSAEYOIQIGCD-KFWQUQEDSA-N
Mol Weight 927.12 g/mol
Molecular Formula C46H50N14O4S2
Exact Mass 926.358088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15GsKrhdSn5
Name ETHYL-4-AMINO-6-(4-METHYLPHENYL)-3-[ALPHA-(2-HYDRAZO-4,5,6,7-TETRA-HYDROBENZO-[B]-THIOPHENE-3-CARBOXYLATE)-ACETONITRILO]-1,2,4-TRIAZINE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H50N14O4S2
InChI InChI=1S/2C23H25N7O2S/c2*1-3-32-23(31)20-16-6-4-5-7-19(16)33-22(20)29-26-17(12-24)21-28-27-18(13-30(21)25)15-10-8-14(2)9-11-15/h2*8-11,29H,3-7,13,25H2,1-2H3/b2*26-17+
InChIKey PMRSAEYOIQIGCD-KFWQUQEDSA-N
Literature Reference Author R.M.MOHAREB,A.A.MOHAMED
Literature Reference Citation MOLECULES,15,3602(2010)
Literature Reference DOI 10.3390/molecules15053602
Molecular Weight 927.114 g/mol
Sample ID 70408
Solvent DMSO-D6