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#3;1-[4-[(2-PHTHALIMIDOETHYL)-(3-PHTHALIMIDOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(TERT.-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE

View entire compound with spectra: 1 NMR

#3;1-[4-[(2-PHTHALIMIDOETHYL)-(3-PHTHALIMIDOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(TERT.-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
SpectraBase Compound ID ruEGnxHwZJ
InChI InChI=1S/C55H75N7O10/c1-53(2,3)70-46(63)37-58-27-25-57(26-28-59(38-47(64)71-54(4,5)6)30-32-60(31-29-58)39-48(65)72-55(7,8)9)36-41-21-19-40(20-22-41)35-56(33-34-62-51(68)44-17-12-13-18-45(44)52(62)69)23-14-24-61-49(66)42-15-10-11-16-43(42)50(61)67/h10-13,15-22H,14,23-39H2,1-9H3
InChIKey PKJVMBPRQVTMPX-UHFFFAOYSA-N
Mol Weight 994.2 g/mol
Molecular Formula C55H75N7O10
Exact Mass 993.557542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMb8rRbGgHp
Name #3;1-[4-[(2-PHTHALIMIDOETHYL)-(3-PHTHALIMIDOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(TERT.-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H75N7O10
InChI InChI=1S/C55H75N7O10/c1-53(2,3)70-46(63)37-58-27-25-57(26-28-59(38-47(64)71-54(4,5)6)30-32-60(31-29-58)39-48(65)72-55(7,8)9)36-41-21-19-40(20-22-41)35-56(33-34-62-51(68)44-17-12-13-18-45(44)52(62)69)23-14-24-61-49(66)42-15-10-11-16-43(42)50(61)67/h10-13,15-22H,14,23-39H2,1-9H3
InChIKey PKJVMBPRQVTMPX-UHFFFAOYSA-N
Literature Reference Author B.DRAHOS,Z.TRAVNICEK
Literature Reference Citation MOLECULES,18,13940(2013)
Literature Reference DOI 10.3390/molecules181113940
Molecular Weight 994.241 g/mol
Solvent DMSO-D6
Source File Reference UWIR9895