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1-(4,8,11-Trihexanoyl-1,4,8,11-tetraaza-cyclotetradec-1-yl)-hexan-1-one
SpectraBase Compound ID KJyj6UhlmoV
InChI InChI=1S/C34H64N4O4/c1-5-9-13-19-31(39)35-23-17-24-37(33(41)21-15-11-7-3)29-30-38(34(42)22-16-12-8-4)26-18-25-36(28-27-35)32(40)20-14-10-6-2/h5-30H2,1-4H3
InChIKey UWMGZNVJZFDLBS-UHFFFAOYSA-N
Mol Weight 592.9 g/mol
Molecular Formula C34H64N4O4
Exact Mass 592.492757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InyNE5QIOmR
Name 1-(4,8,11-Trihexanoyl-1,4,8,11-tetraaza-cyclotetradec-1-yl)-hexan-1-one
Alternate Name(s) 1,4,8,11-Tetrahexanoyl-1,4,8,11-tetraazacyclotetradecane 1-(4,8,11-tricaproyl-1,4,8,11-tetrazacyclotetradec-1-yl)hexan-1-one 1-[4,8,11-tri(hexanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]hexan-1-one 1-[4,8,11-tris(1-oxohexyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-1-hexanone
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Formula C34H64N4O4
InChI InChI=1S/C34H64N4O4/c1-5-9-13-19-31(39)35-23-17-24-37(33(41)21-15-11-7-3)29-30-38(34(42)22-16-12-8-4)26-18-25-36(28-27-35)32(40)20-14-10-6-2/h5-30H2,1-4H3
InChIKey UWMGZNVJZFDLBS-UHFFFAOYSA-N
Molecular Weight 592.910 g/mol
SMILES C(N1CCN(C(=O)CCCCC)CCCN(CCN(CCC1)C(=O)CCCCC)C(=O)CCCCC)(=O)CCCCC
SPLASH splash10-00dl-9640000000-a7546c4d47d67a43417a
Wiley ID 1485713