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N,N',N,N'-TETRAKIS-(BOC-L-PHENYLALANYL-3-AMINOPROPYL)-L-ALPHA,EPSILON-DIAMINOHEXANOL
SpectraBase Compound ID 12vHL8tHmk9
InChI InChI=1S/C74H112N10O13/c1-71(2,3)94-67(90)79-59(49-54-31-17-13-18-32-54)63(86)75-40-27-45-83(46-28-41-76-64(87)60(50-55-33-19-14-20-34-55)80-68(91)95-72(4,5)6)44-26-25-39-58(53-85)84(47-29-42-77-65(88)61(51-56-35-21-15-22-36-56)81-69(92)96-73(7,8)9)48-30-43-78-66(89)62(52-57-37-23-16-24-38-57)82-70(93)97-74(10,11)12/h13-24,31-38,58-62,85H,25-30,39-53H2,1-12H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,93)/t58-,59?,60?,61?,62?/m0/s1
InChIKey DMURCBGBNBQEKJ-URRUOHKWSA-N
Mol Weight 1349.8 g/mol
Molecular Formula C74H112N10O13
Exact Mass 1348.841034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aiCqLsouc9
Name N,N',N,N'-TETRAKIS-(BOC-L-PHENYLALANYL-3-AMINOPROPYL)-L-ALPHA,EPSILON-DIAMINOHEXANOL
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H112N10O13
InChI InChI=1S/C74H112N10O13/c1-71(2,3)94-67(90)79-59(49-54-31-17-13-18-32-54)63(86)75-40-27-45-83(46-28-41-76-64(87)60(50-55-33-19-14-20-34-55)80-68(91)95-72(4,5)6)44-26-25-39-58(53-85)84(47-29-42-77-65(88)61(51-56-35-21-15-22-36-56)81-69(92)96-73(7,8)9)48-30-43-78-66(89)62(52-57-37-23-16-24-38-57)82-70(93)97-74(10,11)12/h13-24,31-38,58-62,85H,25-30,39-53H2,1-12H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,93)/t58-,59?,60?,61?,62?/m0/s1
InChIKey DMURCBGBNBQEKJ-URRUOHKWSA-N
Literature Reference Author P.POLCYN,M.JURCZAK,A.RAJNISZ,J.SOLECKA,Z.URBANCZYK-LIPKOWSKA
Literature Reference Citation MOLECULES,14,3881(2009)
Literature Reference DOI 10.3390/molecules14103881
Molecular Weight 1349.762 g/mol
Sample ID 69835
Solvent Unknown