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4-[[13-(4-hydroxy-3,5-diisopropyl-benzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-diisopropyl-phenol

View entire compound with spectra: 1 MS (GC)

4-[[13-(4-hydroxy-3,5-diisopropyl-benzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-diisopropyl-phenol
SpectraBase Compound ID BHJyLgJiBqk
InChI InChI=1S/C36H58N2O5/c1-25(2)31-19-29(20-32(26(3)4)35(31)39)23-37-9-13-41-14-10-38(12-16-43-18-17-42-15-11-37)24-30-21-33(27(5)6)36(40)34(22-30)28(7)8/h19-22,25-28,39-40H,9-18,23-24H2,1-8H3
InChIKey BBSFODORCXIQMT-UHFFFAOYSA-N
Mol Weight 598.9 g/mol
Molecular Formula C36H58N2O5
Exact Mass 598.434573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ddj1WtQ7ma
Name 4-[[13-(4-hydroxy-3,5-diisopropyl-benzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-diisopropyl-phenol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H58N2O5
InChI InChI=1S/C36H58N2O5/c1-25(2)31-19-29(20-32(26(3)4)35(31)39)23-37-9-13-41-14-10-38(12-16-43-18-17-42-15-11-37)24-30-21-33(27(5)6)36(40)34(22-30)28(7)8/h19-22,25-28,39-40H,9-18,23-24H2,1-8H3
InChIKey BBSFODORCXIQMT-UHFFFAOYSA-N
Molecular Weight 598.869 g/mol
SMILES Oc1c(cc(CN2CCOCCN(Cc3cc(c(c(c3)C(C)C)O)C(C)C)CCOCCOCC2)cc1C(C)C)C(C)C
SPLASH splash10-0006-0900000000-b451c480a2072347b932
Source of Spectrum Y-38-589-10
Synonyms 4-[[13-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-diisopropyl-phenol 4-[[13-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-di(propan-2-yl)phenol 4-[[13-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-di(propan-2-yl)phenol
Wiley ID 848388