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#22-TRIETHYLAMMONIUM-SALT;BENZYL-[N-BENZYLOXYCARBONYL-5-AMINOPENTYL-2-O-BENZOYL-3-O-BENZYL-4-O-(2-DEOXY-3-O-LEVULINOYL-6-O-SULFO-2-TETRACHLOROPHTHALIMIDO-BETA-
SpectraBase Compound ID 7JZnJqhAtp0
InChI InChI=1S/C59H60Cl4N2O22S.C6H15N/c1-33(66)25-26-39(67)84-48-46(65-53(69)40-41(54(70)71)43(61)45(63)44(62)42(40)60)57(83-38(47(48)68)32-82-88(75,76)77)86-50-49(79-29-34-17-7-2-8-18-34)52(85-55(72)37-23-13-5-14-24-37)58(87-51(50)56(73)80-30-35-19-9-3-10-20-35)78-28-16-6-15-27-64-59(74)81-31-36-21-11-4-12-22-36;1-4-7(5-2)6-3/h2-5,7-14,17-24,38,46-52,57-58,68H,6,15-16,25-32H2,1H3,(H,64,74)(H,65,69)(H,70,71)(H,75,76,77);4-6H2,1-3H3/t38-,46-,47+,48-,49+,50+,51+,52-,57+,58-;/m1./s1
InChIKey NGZLWBKZOUFDPX-JNBKZZTASA-N
Mol Weight 1424.2 g/mol
Molecular Formula C65H75Cl4N3O22S
Exact Mass 1421.331703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKfxwQhfxfM
Name #22-TRIETHYLAMMONIUM-SALT;BENZYL-[N-BENZYLOXYCARBONYL-5-AMINOPENTYL-2-O-BENZOYL-3-O-BENZYL-4-O-(2-DEOXY-3-O-LEVULINOYL-6-O-SULFO-2-TETRACHLOROPHTHALIMIDO-BETA-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H75Cl4N3O22S
InChI InChI=1S/C59H60Cl4N2O22S.C6H15N/c1-33(66)25-26-39(67)84-48-46(65-53(69)40-41(54(70)71)43(61)45(63)44(62)42(40)60)57(83-38(47(48)68)32-82-88(75,76)77)86-50-49(79-29-34-17-7-2-8-18-34)52(85-55(72)37-23-13-5-14-24-37)58(87-51(50)56(73)80-30-35-19-9-3-10-20-35)78-28-16-6-15-27-64-59(74)81-31-36-21-11-4-12-22-36;1-4-7(5-2)6-3/h2-5,7-14,17-24,38,46-52,57-58,68H,6,15-16,25-32H2,1H3,(H,64,74)(H,65,69)(H,70,71)(H,75,76,77);4-6H2,1-3H3/t38-,46-,47+,48-,49+,50+,51+,52-,57+,58-;/m1./s1
InChIKey NGZLWBKZOUFDPX-JNBKZZTASA-N
Literature Reference Author G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3868(2014)
Literature Reference DOI 10.1002/ejoc.201402222
Molecular Weight 1424.189 g/mol
Solvent CD3OD
Source File Reference UWLU85329