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N,N'-bis[4'-Hydroxy-3'-(t-butyl)-5'-methylbenzyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SpectraBase Compound ID 1wtfkZZybMc
InChI InChI=1S/C36H58N2O6/c1-27-21-29(23-31(33(27)39)35(3,4)5)25-37-9-13-41-17-19-43-15-11-38(12-16-44-20-18-42-14-10-37)26-30-22-28(2)34(40)32(24-30)36(6,7)8/h21-24,39-40H,9-20,25-26H2,1-8H3
InChIKey OAHKOEPDWRLNIA-UHFFFAOYSA-N
Mol Weight 614.9 g/mol
Molecular Formula C36H58N2O6
Exact Mass 614.429488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57go7IwBhWq
Name N,N'-bis[4'-Hydroxy-3'-(t-butyl)-5'-methylbenzyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Alternate Name(s) 2-tert-butyl-4-[[16-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-6-methyl-phenol 2-tert-butyl-4-[[16-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-6-methyl-phenol 2-tert-butyl-4-[[16-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-6-methyl-phenol
Comments Less than 3 mono-isotopic peaks
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Formula C36H58N2O6
InChI InChI=1S/C36H58N2O6/c1-27-21-29(23-31(33(27)39)35(3,4)5)25-37-9-13-41-17-19-43-15-11-38(12-16-44-20-18-42-14-10-37)26-30-22-28(2)34(40)32(24-30)36(6,7)8/h21-24,39-40H,9-20,25-26H2,1-8H3
InChIKey OAHKOEPDWRLNIA-UHFFFAOYSA-N
Molecular Weight 614.868 g/mol
SMILES Oc1c(cc(CN2CCOCCOCCN(Cc3cc(c(c(c3)C)O)C(C)(C)C)CCOCCOCC2)cc1C)C(C)(C)C
SPLASH splash10-03di-0900000000-a5607e9133a39da2e7dc
Source of Spectrum Y-38-589-12
Wiley ID 848381