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N9-Benzoyl-3-aza-nonane-1,5,9-triamine-N1,N1,N3,N5,N5-pentaacetic acid

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N9-Benzoyl-3-aza-nonane-1,5,9-triamine-N1,N1,N3,N5,N5-pentaacetic acid
SpectraBase Compound ID 4t9dka9sjix
InChI InChI=1S/C25H36N4O11/c30-20(31)13-27(10-11-28(14-21(32)33)15-22(34)35)12-19(29(16-23(36)37)17-24(38)39)8-4-5-9-26-25(40)18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2,(H,26,40)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)
InChIKey FISKTMJCLAISDC-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C25H36N4O11
Exact Mass 568.238058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OJmPu5R7UN
Name N9-Benzoyl-3-aza-nonane-1,5,9-triamine-N1,N1,N3,N5,N5-pentaacetic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H36N4O11
InChI InChI=1S/C25H36N4O11/c30-20(31)13-27(10-11-28(14-21(32)33)15-22(34)35)12-19(29(16-23(36)37)17-24(38)39)8-4-5-9-26-25(40)18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2,(H,26,40)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)
InChIKey FISKTMJCLAISDC-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference J.P. Cox, A.S. Craig, I.M.Helps, J. Chem. Soc. Perkin I 2567 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O