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2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxyoctyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
SpectraBase Compound ID GdQxAP25V50
InChI InChI=1S/C34H66N4O7/c1-11-12-13-14-15-28(39)24-35-16-18-36(25-29(40)43-32(2,3)4)20-22-38(27-31(42)45-34(8,9)10)23-21-37(19-17-35)26-30(41)44-33(5,6)7/h28,39H,11-27H2,1-10H3
InChIKey MGPHWZMZMUABMF-UHFFFAOYSA-N
Mol Weight 642.9 g/mol
Molecular Formula C34H66N4O7
Exact Mass 642.49315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhkTnoZiOJR
Name 2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxyoctyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
Alternate Name(s) 2-[4-(2-hydroxyoctyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester tert-Butyl 2-[4,7-bis(2-tert-butoxy-2-oxo-ethyl)-10-(2-hydroxyoctyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate tert-Butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-10-(2-oxidanyloctyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate tert-Butyl 2-[4-(2-hydroxyoctyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
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Formula C34H66N4O7
InChI InChI=1S/C34H66N4O7/c1-11-12-13-14-15-28(39)24-35-16-18-36(25-29(40)43-32(2,3)4)20-22-38(27-31(42)45-34(8,9)10)23-21-37(19-17-35)26-30(41)44-33(5,6)7/h28,39H,11-27H2,1-10H3
InChIKey MGPHWZMZMUABMF-UHFFFAOYSA-N
Molecular Weight 642.923 g/mol
SMILES OC(CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC1)CC(OC(C)(C)C)=O)CCCCCC
SPLASH splash10-006x-0000590000-d511b9b1ac12b246cfe8
Source of Spectrum KC-0-1049-9
Wiley ID 830761