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1,4,7-Tris(<13C>carboxymethyl)-1,4,7-triaza-cyclononane

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1,4,7-Tris(<13C>carboxymethyl)-1,4,7-triaza-cyclononane
SpectraBase Compound ID 8PvB4QXcyVu
InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey JHALWMSZGCVVEM-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C12H21N3O6
Exact Mass 303.143035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JastvnyYshU
Name 1,4,7-Tris(<13C>carboxymethyl)-1,4,7-triaza-cyclononane
Comments PD=2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H21N3O6
InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey JHALWMSZGCVVEM-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference C.J. Broan, J.P. Cox, D. Parker, J. Chem. Soc. Perkin II 87 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O