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1-[4-[(2-AMINOETHYL)-(3-AMINOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE

View entire compound with spectra: 1 NMR

1-[4-[(2-AMINOETHYL)-(3-AMINOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
SpectraBase Compound ID BHQRVxkTJc6
InChI InChI=1S/C27H47N7O6/c28-6-1-8-30(9-7-29)18-23-2-4-24(5-3-23)19-31-10-12-32(20-25(35)36)14-16-34(22-27(39)40)17-15-33(13-11-31)21-26(37)38/h2-5H,1,6-22,28-29H2,(H,35,36)(H,37,38)(H,39,40)
InChIKey CMASTPPAYIOVFN-UHFFFAOYSA-N
Mol Weight 565.7 g/mol
Molecular Formula C27H47N7O6
Exact Mass 565.358782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5c3IIkpgKq
Name 1-[4-[(2-AMINOETHYL)-(3-AMINOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H47N7O6
InChI InChI=1S/C27H47N7O6/c28-6-1-8-30(9-7-29)18-23-2-4-24(5-3-23)19-31-10-12-32(20-25(35)36)14-16-34(22-27(39)40)17-15-33(13-11-31)21-26(37)38/h2-5H,1,6-22,28-29H2,(H,35,36)(H,37,38)(H,39,40)
InChIKey CMASTPPAYIOVFN-UHFFFAOYSA-N
Literature Reference Author B.DRAHOS,Z.TRAVNICEK
Literature Reference Citation MOLECULES,18,13940(2013)
Literature Reference DOI 10.3390/molecules181113940
Molecular Weight 565.713 g/mol
Solvent DMSO-D6
Source File Reference UWIR9897