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2,6-ditert-butyl-4-[[16-(3,5-ditert-butyl-4-hydroxy-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]phenol
SpectraBase Compound ID AqXvcjPBUKU
InChI InChI=1S/C42H70N2O6/c1-39(2,3)33-25-31(26-34(37(33)45)40(4,5)6)29-43-13-17-47-21-23-49-19-15-44(16-20-50-24-22-48-18-14-43)30-32-27-35(41(7,8)9)38(46)36(28-32)42(10,11)12/h25-28,45-46H,13-24,29-30H2,1-12H3
InChIKey UFRIKSDHTCQHCM-UHFFFAOYSA-N
Mol Weight 699.0 g/mol
Molecular Formula C42H70N2O6
Exact Mass 698.523388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DVpiTu0XFN
Name 2,6-ditert-butyl-4-[[16-(3,5-ditert-butyl-4-hydroxy-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]phenol
Alternate Name(s) 2,6-ditert-butyl-4-[[16-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]phenol 2,6-ditert-butyl-4-[[16-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]phenol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H70N2O6
InChI InChI=1S/C42H70N2O6/c1-39(2,3)33-25-31(26-34(37(33)45)40(4,5)6)29-43-13-17-47-21-23-49-19-15-44(16-20-50-24-22-48-18-14-43)30-32-27-35(41(7,8)9)38(46)36(28-32)42(10,11)12/h25-28,45-46H,13-24,29-30H2,1-12H3
InChIKey UFRIKSDHTCQHCM-UHFFFAOYSA-N
Molecular Weight 699.030 g/mol
SMILES Oc1c(cc(CN2CCOCCOCCN(Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)CCOCCOCC2)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-03di-0900000000-1e537b4e3061c2b2d7e6
Source of Spectrum Y-38-589-11
Wiley ID 848382