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2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxyhexadecyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester

View entire compound with spectra: 1 MS (GC)

2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxyhexadecyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
SpectraBase Compound ID A0XmkmGOHkv
InChI InChI=1S/C42H82N4O7/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-36(47)32-43-24-26-44(33-37(48)51-40(2,3)4)28-30-46(35-39(50)53-42(8,9)10)31-29-45(27-25-43)34-38(49)52-41(5,6)7/h36,47H,11-35H2,1-10H3
InChIKey LTDXTQNKRGQGEZ-UHFFFAOYSA-N
Mol Weight 755.1 g/mol
Molecular Formula C42H82N4O7
Exact Mass 754.618351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVUYyyoMDBE
Name 2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxyhexadecyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
Alternate Name(s) 2-[4-(2-hydroxyhexadecyl)-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-hydroxyhexadecyl)-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-oxidanylhexadecyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate tert-Butyl 2-[4-(2-hydroxyhexadecyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
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Formula C42H82N4O7
InChI InChI=1S/C42H82N4O7/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-36(47)32-43-24-26-44(33-37(48)51-40(2,3)4)28-30-46(35-39(50)53-42(8,9)10)31-29-45(27-25-43)34-38(49)52-41(5,6)7/h36,47H,11-35H2,1-10H3
InChIKey LTDXTQNKRGQGEZ-UHFFFAOYSA-N
Molecular Weight 755.139 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)CCCCCCCCCCCCCC
SPLASH splash10-0ue9-0000069000-8c5f8a5f0cd9f049e1fe
Source of Spectrum KC-0-1049-9
Wiley ID 830759