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2-METHYL-N-(4)-(4-METHYL-2-PENTYL)-N-(7)-PHENYL-2,3-DIHYDRO-1-BENZOTHIOPHENE-4,7-DIAMINE
SpectraBase Compound ID 7Itc9VMNapi
InChI InChI=1S/2C21H28N2S/c2*1-14(2)12-15(3)22-19-10-11-20(21-18(19)13-16(4)24-21)23-17-8-6-5-7-9-17/h2*5-11,14-16,22-23H,12-13H2,1-4H3/t2*15-,16+/m00/s1
InChIKey WTWMVPZTUOKAME-LJCJDFNZSA-N
Mol Weight 681.06 g/mol
Molecular Formula C42H56N4S2
Exact Mass 680.39464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lDvBATesRD
Name 2-METHYL-N-(4)-(4-METHYL-2-PENTYL)-N-(7)-PHENYL-2,3-DIHYDRO-1-BENZOTHIOPHENE-4,7-DIAMINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H56N4S2
InChI InChI=1S/2C21H28N2S/c2*1-14(2)12-15(3)22-19-10-11-20(21-18(19)13-16(4)24-21)23-17-8-6-5-7-9-17/h2*5-11,14-16,22-23H,12-13H2,1-4H3/t2*15-,16+/m00/s1
InChIKey WTWMVPZTUOKAME-LJCJDFNZSA-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 681.053 g/mol
Solvent CDCl3
Source File Reference UWVN29239