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N,N'-bis(4'-Hydroxy-3',5'-di-isopropylbenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SpectraBase Compound ID EVifPGBCXsj
InChI InChI=1S/C38H62N2O6/c1-27(2)33-21-31(22-34(28(3)4)37(33)41)25-39-9-13-43-17-19-45-15-11-40(12-16-46-20-18-44-14-10-39)26-32-23-35(29(5)6)38(42)36(24-32)30(7)8/h21-24,27-30,41-42H,9-20,25-26H2,1-8H3
InChIKey IYCHOWKDCLFQBD-UHFFFAOYSA-N
Mol Weight 642.9 g/mol
Molecular Formula C38H62N2O6
Exact Mass 642.460788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KscrKLnTEzf
Name N,N'-bis(4'-Hydroxy-3',5'-di-isopropylbenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Alternate Name(s) 4-{[16-(4-hydroxy-3,5-diisopropylbenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]methyl}-2,6-diisopropylphenol 4-[[16-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-di(propan-2-yl)phenol 4-[[16-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-diisopropyl-phenol 4-[[16-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-di(propan-2-yl)phenol
Comments Less than 3 mono-isotopic peaks
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Formula C38H62N2O6
InChI InChI=1S/C38H62N2O6/c1-27(2)33-21-31(22-34(28(3)4)37(33)41)25-39-9-13-43-17-19-45-15-11-40(12-16-46-20-18-44-14-10-39)26-32-23-35(29(5)6)38(42)36(24-32)30(7)8/h21-24,27-30,41-42H,9-20,25-26H2,1-8H3
InChIKey IYCHOWKDCLFQBD-UHFFFAOYSA-N
Molecular Weight 642.922 g/mol
SMILES Oc1c(cc(CN2CCOCCOCCN(Cc3cc(c(c(c3)C(C)C)O)C(C)C)CCOCCOCC2)cc1C(C)C)C(C)C
SPLASH splash10-0006-0900000000-7cc819cb1b57e02a2a42
Source of Spectrum Y-38-589-10
Wiley ID 848383