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D41-1077;7-AMIDINO-2-[4-[[1-ACETIMIDOYL-3-PYRROLIDINYL]-OXY]-PHENETHYL]-NAPHTHALENE
SpectraBase Compound ID 6l33Jmw7Kbi
InChI InChI=1S/2C25H28N4O/c2*1-17(26)29-13-12-24(16-29)30-23-10-5-18(6-11-23)2-3-19-4-7-20-8-9-21(25(27)28)15-22(20)14-19/h2*4-11,14-15,24,26H,2-3,12-13,16H2,1H3,(H3,27,28)/t2*24-/m10/s1
InChIKey AFRBPLSBBGDEME-STCDVQFJSA-N
Mol Weight 801.05 g/mol
Molecular Formula C50H56N8O2
Exact Mass 800.452623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zEkfXnG7Sk
Name D41-1077;7-AMIDINO-2-[4-[[1-ACETIMIDOYL-3-PYRROLIDINYL]-OXY]-PHENETHYL]-NAPHTHALENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H56N8O2
InChI InChI=1S/2C25H28N4O/c2*1-17(26)29-13-12-24(16-29)30-23-10-5-18(6-11-23)2-3-19-4-7-20-8-9-21(25(27)28)15-22(20)14-19/h2*4-11,14-15,24,26H,2-3,12-13,16H2,1H3,(H3,27,28)/t2*24-/m10/s1
InChIKey AFRBPLSBBGDEME-STCDVQFJSA-N
Literature Reference Author Y.KAWAI,K.MATSUBAYASHI
Literature Reference Citation CHEM.PHARM.BULL.,46,131(1998)
Literature Reference DOI 10.1248/cpb.46.131
Molecular Weight 801.047 g/mol
Solvent DMSO-D6
Source File Reference UWMS6167