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NITRILOTRIACETIC-ACID-TRIS-(BENZYLOXYPHENETYL)-ESTER

View entire compound with spectra: 1 NMR

NITRILOTRIACETIC-ACID-TRIS-(BENZYLOXYPHENETYL)-ESTER
SpectraBase Compound ID 9LhbXmCT42w
InChI InChI=1S/C54H54N4O9/c59-49(55-46(31-40-19-7-1-8-20-40)52(62)65-37-43-25-13-4-14-26-43)34-58(35-50(60)56-47(32-41-21-9-2-10-22-41)53(63)66-38-44-27-15-5-16-28-44)36-51(61)57-48(33-42-23-11-3-12-24-42)54(64)67-39-45-29-17-6-18-30-45/h1-30,46-48H,31-39H2,(H,55,59)(H,56,60)(H,57,61)
InChIKey ZSWGCLIRVOKMHK-UHFFFAOYSA-N
Mol Weight 903.0 g/mol
Molecular Formula C54H54N4O9
Exact Mass 902.389079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3i6JaYnCFpi
Name NITRILOTRIACETIC-ACID-TRIS-(BENZYLOXYPHENETYL)-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H54N4O9
InChI InChI=1S/C54H54N4O9/c59-49(55-46(31-40-19-7-1-8-20-40)52(62)65-37-43-25-13-4-14-26-43)34-58(35-50(60)56-47(32-41-21-9-2-10-22-41)53(63)66-38-44-27-15-5-16-28-44)36-51(61)57-48(33-42-23-11-3-12-24-42)54(64)67-39-45-29-17-6-18-30-45/h1-30,46-48H,31-39H2,(H,55,59)(H,56,60)(H,57,61)
InChIKey ZSWGCLIRVOKMHK-UHFFFAOYSA-N
Literature Reference Author M.SCHULTZ,J.KULIS,J.MURISON,G.W.ANDREWS
Literature Reference Citation AUSTR.J.CHEM.,61,297(2008)
Literature Reference DOI 10.1071/ch07430
Molecular Weight 903.044 g/mol
Sample ID 40500
Solvent CDCl3