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ETHYL-4-PHENYLAMINO-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-PHENYLAMINO-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 LGWXeOxKO5R
InChI InChI=1S/2C29H29N7O2S/c2*1-3-38-29(37)26-22-11-7-8-12-25(22)39-28(26)34-31-23(17-30)27-33-32-24(20-15-13-19(2)14-16-20)18-36(27)35-21-9-5-4-6-10-21/h2*4-6,9-10,13-16,34-35H,3,7-8,11-12,18H2,1-2H3/b2*31-23+
InChIKey DJGOMSOYHSOTKX-JKGKFOIOSA-N
Mol Weight 1079.32 g/mol
Molecular Formula C58H58N14O4S2
Exact Mass 1078.420689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iiCCWG1vWg
Name ETHYL-4-PHENYLAMINO-6-(4-METHYLPHENYL)-3-[ALPHA-(2-HYDRAZO-4,5,6,7-TETRA-HYDROBENZO-[B]-THIOPHENE-3-CARBOXYLATE)-ACETONITRILO]-1,2,4-TRIAZINE
Compound Number 10F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H58N14O4S2
InChI InChI=1S/2C29H29N7O2S/c2*1-3-38-29(37)26-22-11-7-8-12-25(22)39-28(26)34-31-23(17-30)27-33-32-24(20-15-13-19(2)14-16-20)18-36(27)35-21-9-5-4-6-10-21/h2*4-6,9-10,13-16,34-35H,3,7-8,11-12,18H2,1-2H3/b2*31-23+
InChIKey DJGOMSOYHSOTKX-JKGKFOIOSA-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 1079.310 g/mol
Sample ID 70411
Solvent DMSO-D6