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2-METHYL-N-(4)-(2-OCTYL)-N-(7)-PHENYL-2,3-DIHYDRO-1-BENZOTHIOPHENE-4,7-DIAMINE
SpectraBase Compound ID 9fUCnZb3pxg
InChI InChI=1S/2C23H32N2S/c2*1-4-5-6-8-11-17(2)24-21-14-15-22(23-20(21)16-18(3)26-23)25-19-12-9-7-10-13-19/h2*7,9-10,12-15,17-18,24-25H,4-6,8,11,16H2,1-3H3
InChIKey SFYQEDXLGGMADN-UHFFFAOYSA-N
Mol Weight 737.2 g/mol
Molecular Formula C46H64N4S2
Exact Mass 736.45724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBE1bjCJ3Fw
Name 2-METHYL-N-(4)-(2-OCTYL)-N-(7)-PHENYL-2,3-DIHYDRO-1-BENZOTHIOPHENE-4,7-DIAMINE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H64N4S2
InChI InChI=1S/2C23H32N2S/c2*1-4-5-6-8-11-17(2)24-21-14-15-22(23-20(21)16-18(3)26-23)25-19-12-9-7-10-13-19/h2*7,9-10,12-15,17-18,24-25H,4-6,8,11,16H2,1-3H3
InChIKey SFYQEDXLGGMADN-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,N.G.AKHMEDOV,M.WANG,C.J.ROSTEK,P.J.STEEL
Literature Reference Citation MAGN.RES.CHEM.,42,999(2004)
Literature Reference DOI 10.1002/mrc.1462
Molecular Weight 737.161 g/mol
Solvent CDCl3
Source File Reference UWVN29241