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(S,S)-1,7-bis(4'-Phenyl-5'-hydroxy-2'-oxo-3'-azapentyl)-1,7-diaza-12-crown-4 - Ligand
SpectraBase Compound ID 1X5oQmAnGuZ
InChI InChI=1S/C28H40N4O6/c33-21-25(23-7-3-1-4-8-23)29-27(35)19-31-11-15-37-17-13-32(14-18-38-16-12-31)20-28(36)30-26(22-34)24-9-5-2-6-10-24/h1-10,25-26,33-34H,11-22H2,(H,29,35)(H,30,36)/t25-,26-/m1/s1
InChIKey WGGUFVCONFJDBG-CLJLJLNGSA-N
Mol Weight 528.7 g/mol
Molecular Formula C28H40N4O6
Exact Mass 528.294785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpybminpI15
Name (S,S)-1,7-bis(4'-Phenyl-5'-hydroxy-2'-oxo-3'-azapentyl)-1,7-diaza-12-crown-4 - Ligand
Alternate Name(s) N-[(1S)-2-hydroxy-1-phenylethyl]-2-[10-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2-[10-[2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide 2-[10-[2-oxidanylidene-2-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]ethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]ethanamide
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Formula C28H40N4O6
InChI InChI=1S/C28H40N4O6/c33-21-25(23-7-3-1-4-8-23)29-27(35)19-31-11-15-37-17-13-32(14-18-38-16-12-31)20-28(36)30-26(22-34)24-9-5-2-6-10-24/h1-10,25-26,33-34H,11-22H2,(H,29,35)(H,30,36)/t25-,26-/m1/s1
InChIKey WGGUFVCONFJDBG-CLJLJLNGSA-N
Molecular Weight 528.650 g/mol
SMILES N(C(CN1CCOCCN(CC(N[C@](CO)(c2ccccc2)[H])=O)CCOCC1)=O)[C@](CO)(c1ccccc1)[H]
SPLASH splash10-0pbc-9700000000-0da29e5eeed90aae9b08
Source of Spectrum AJ-42-1045-1
Wiley ID 1568105