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4-[[16-(3,5-difluoro-4-hydroxy-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-difluoro-phenol
SpectraBase Compound ID KaD7ebrt1mz
InChI InChI=1S/C26H34F4N2O6/c27-21-13-19(14-22(28)25(21)33)17-31-1-5-35-9-10-37-7-3-32(4-8-38-12-11-36-6-2-31)18-20-15-23(29)26(34)24(30)16-20/h13-16,33-34H,1-12,17-18H2
InChIKey QOOKERLOHCEBEX-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C26H34F4N2O6
Exact Mass 546.235299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OPApqX7j3v
Name 4-[[16-(3,5-difluoro-4-hydroxy-benzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-difluoro-phenol
Comments Less than 3 mono-isotopic peaks
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Formula C26H34F4N2O6
InChI InChI=1S/C26H34F4N2O6/c27-21-13-19(14-22(28)25(21)33)17-31-1-5-35-9-10-37-7-3-32(4-8-38-12-11-36-6-2-31)18-20-15-23(29)26(34)24(30)16-20/h13-16,33-34H,1-12,17-18H2
InChIKey QOOKERLOHCEBEX-UHFFFAOYSA-N
Molecular Weight 546.560 g/mol
SMILES Oc1c(cc(CN2CCOCCOCCN(Cc3cc(c(c(c3)F)O)F)CCOCCOCC2)cc1F)F
SPLASH splash10-001i-0900000000-8a0e0791bce80e892388
Source of Spectrum Y-38-590-16
Synonyms 4-[[16-[(3,5-difluoro-4-hydroxy-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-difluoro-phenol 4-[[16-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2,6-bis(fluoranyl)phenol
Wiley ID 848377