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2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxybutyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
SpectraBase Compound ID 3VDNSZ7AjU1
InChI InChI=1S/C30H58N4O7/c1-11-24(35)20-31-12-14-32(21-25(36)39-28(2,3)4)16-18-34(23-27(38)41-30(8,9)10)19-17-33(15-13-31)22-26(37)40-29(5,6)7/h24,35H,11-23H2,1-10H3
InChIKey FOSNSAQTZVPNSU-UHFFFAOYSA-N
Mol Weight 586.8 g/mol
Molecular Formula C30H58N4O7
Exact Mass 586.43055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Vg8PowPmjY
Name 2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxybutyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
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Formula C30H58N4O7
InChI InChI=1S/C30H58N4O7/c1-11-24(35)20-31-12-14-32(21-25(36)39-28(2,3)4)16-18-34(23-27(38)41-30(8,9)10)19-17-33(15-13-31)22-26(37)40-29(5,6)7/h24,35H,11-23H2,1-10H3
InChIKey FOSNSAQTZVPNSU-UHFFFAOYSA-N
Molecular Weight 586.815 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)CC
SPLASH splash10-000i-0000900000-18045e7a338258bbc546
Source of Spectrum KC-0-1049-9
Synonyms 2-[4-(2-hydroxybutyl)-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-hydroxybutyl)-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-oxidanylbutyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate tert-Butyl 2-[4-(2-hydroxybutyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Wiley ID 830762