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

SpectraBase Compound ID	CdyvTRGdjfd
InChI	InChI=1S/C38H74N4O7/c1-11-12-13-14-15-16-17-18-19-32(43)28-39-20-22-40(29-33(44)47-36(2,3)4)24-26-42(31-35(46)49-38(8,9)10)27-25-41(23-21-39)30-34(45)48-37(5,6)7/h32,43H,11-31H2,1-10H3
InChIKey	DNMLXDGOQCLHET-UHFFFAOYSA-N Google Search
Mol Weight	699.0 g/mol
Molecular Formula	C38H74N4O7
Exact Mass	698.555751 g/mol

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SpectraBase Spectrum ID	5O4d6DMPtDM
Name	2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-(2-hydroxydodecyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H74N4O7
InChI	InChI=1S/C38H74N4O7/c1-11-12-13-14-15-16-17-18-19-32(43)28-39-20-22-40(29-33(44)47-36(2,3)4)24-26-42(31-35(46)49-38(8,9)10)27-25-41(23-21-39)30-34(45)48-37(5,6)7/h32,43H,11-31H2,1-10H3
InChIKey	DNMLXDGOQCLHET-UHFFFAOYSA-N
Molecular Weight	699.031 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)CCCCCCCCCC
SPLASH	splash10-002b-0000090000-db98722bbf1fc74fdeee
Source of Spectrum	KC-0-1049-9
Synonyms	2-[4-(2-hydroxydodecyl)-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-hydroxydodecyl)-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-oxidanyldodecyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate tert-Butyl 2-[4-(2-hydroxydodecyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Wiley ID	830760