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4-[[16-(4-hydroxy-3,5-diphenyl-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-diphenyl-phenol
SpectraBase Compound ID 56dmusfwPFB
InChI InChI=1S/C50H54N2O6/c53-49-45(41-13-5-1-6-14-41)33-39(34-46(49)42-15-7-2-8-16-42)37-51-21-25-55-29-31-57-27-23-52(24-28-58-32-30-56-26-22-51)38-40-35-47(43-17-9-3-10-18-43)50(54)48(36-40)44-19-11-4-12-20-44/h1-20,33-36,53-54H,21-32,37-38H2
InChIKey JYBJDWBUBAQVCV-UHFFFAOYSA-N
Mol Weight 779.0 g/mol
Molecular Formula C50H54N2O6
Exact Mass 778.398187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z6cYuKa4c4
Name 4-[[16-(4-hydroxy-3,5-diphenyl-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-diphenyl-phenol
Comments Less than 3 mono-isotopic peaks
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Formula C50H54N2O6
InChI InChI=1S/C50H54N2O6/c53-49-45(41-13-5-1-6-14-41)33-39(34-46(49)42-15-7-2-8-16-42)37-51-21-25-55-29-31-57-27-23-52(24-28-58-32-30-56-26-22-51)38-40-35-47(43-17-9-3-10-18-43)50(54)48(36-40)44-19-11-4-12-20-44/h1-20,33-36,53-54H,21-32,37-38H2
InChIKey JYBJDWBUBAQVCV-UHFFFAOYSA-N
Molecular Weight 778.990 g/mol
SMILES Oc1c(cc(CN2CCOCCOCCN(Cc3cc(c(c(c3)-c3ccccc3)O)-c3ccccc3)CCOCCOCC2)cc1-c1ccccc1)-c1ccccc1
SPLASH splash10-0a4i-0090010000-efbd611d259bb5eb1a09
Source of Spectrum Y-38-590-15
Synonyms 4-[[16-[(4-hydroxy-3,5-diphenyl-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-diphenyl-phenol 4-[[16-[(4-oxidanyl-3,5-diphenyl-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-diphenyl-phenol
Wiley ID 848378