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CIS-[2-(BIS-CARBOXYMETHYL)-AMINOMETHYL-7-[(BIS-CARBOXYMETHYL)-AMINO]-AZEPAN-1-YL]-ACETIC-ACID
SpectraBase Compound ID 3kDD3Y1Pljn
InChI InChI=1S/C17H27N3O10/c21-13(22)6-18(7-14(23)24)4-11-2-1-3-12(5-19(11)8-15(25)26)20(9-16(27)28)10-17(29)30/h11-12H,1-10H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t11-,12-/m1/s1
InChIKey GCRCTXWJNUILJK-VXGBXAGGSA-N
Mol Weight 433.41 g/mol
Molecular Formula C17H27N3O10
Exact Mass 433.169644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9u0cVRXtjX
Name CIS-[2-(BIS-CARBOXYMETHYL)-AMINOMETHYL-7-[(BIS-CARBOXYMETHYL)-AMINO]-AZEPAN-1-YL]-ACETIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27N3O10
InChI InChI=1S/C17H27N3O10/c21-13(22)6-18(7-14(23)24)4-11-2-1-3-12(5-19(11)8-15(25)26)20(9-16(27)28)10-17(29)30/h11-12H,1-10H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t11-,12-/m1/s1
InChIKey GCRCTXWJNUILJK-VXGBXAGGSA-N
Literature Reference Author H.S.CHONG,K.GARMESTANI,L.H.BRYANT,M.W.BRECHBIEL
Literature Reference Citation J.ORG.CHEM.,66,7745(2001)
Literature Reference DOI 10.1021/jo0106344
Molecular Weight 433.415 g/mol
Solvent D2O;PD=1
Source File Reference UWVN25869