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1-N,4-N,7-N,10-N-tetrabutyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxamide

View entire compound with spectra: 1 MS (GC)

1-N,4-N,7-N,10-N-tetrabutyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxamide
SpectraBase Compound ID 4ZjUG1Fx21l
InChI InChI=1S/C28H56N8O4/c1-5-9-13-29-25(37)33-17-19-34(26(38)30-14-10-6-2)21-23-36(28(40)32-16-12-8-4)24-22-35(20-18-33)27(39)31-15-11-7-3/h5-24H2,1-4H3,(H,29,37)(H,30,38)(H,31,39)(H,32,40)
InChIKey MJYDMYANXVIGPN-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C28H56N8O4
Exact Mass 568.442452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxrDwPfElPz
Name 1-N,4-N,7-N,10-N-tetrabutyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxamide
Alternate Name(s) N1,N4,N7,N10-tetrabutyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H56N8O4
InChI InChI=1S/C28H56N8O4/c1-5-9-13-29-25(37)33-17-19-34(26(38)30-14-10-6-2)21-23-36(28(40)32-16-12-8-4)24-22-35(20-18-33)27(39)31-15-11-7-3/h5-24H2,1-4H3,(H,29,37)(H,30,38)(H,31,39)(H,32,40)
InChIKey MJYDMYANXVIGPN-UHFFFAOYSA-N
Molecular Weight 568.808 g/mol
SMILES N(C(N1CCN(CCN(C(=O)NCCCC)CCN(CC1)C(=O)NCCCC)C(=O)NCCCC)=O)CCCC
SPLASH splash10-000i-0900000000-f31d38f6059d7f660336
Source of Spectrum K1-2001-1947-2
Wiley ID 846328