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4'-[11-[4-(4-Hydroxyphenylazo)phenoxy]undecyloxycarbonyl]benzo-15-crown
SpectraBase Compound ID 8M44cvtmCMJ
InChI InChI=1S/C38H50N2O9/c41-34-15-11-32(12-16-34)39-40-33-13-17-35(18-14-33)46-20-8-6-4-2-1-3-5-7-9-21-49-38(42)31-10-19-36-37(30-31)48-29-27-45-25-23-43-22-24-44-26-28-47-36/h10-19,30,41H,1-9,20-29H2/b40-39+
InChIKey XDMSPFOSPVXIJG-XQQUEIPISA-N
Mol Weight 678.8 g/mol
Molecular Formula C38H50N2O9
Exact Mass 678.351631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOsBql1GNUp
Name 4'-[11-[4-(4-Hydroxyphenylazo)phenoxy]undecyloxycarbonyl]benzo-15-crown
Comments Less than 3 mono-isotopic peaks
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Formula C38H50N2O9
InChI InChI=1S/C38H50N2O9/c41-34-15-11-32(12-16-34)39-40-33-13-17-35(18-14-33)46-20-8-6-4-2-1-3-5-7-9-21-49-38(42)31-10-19-36-37(30-31)48-29-27-45-25-23-43-22-24-44-26-28-47-36/h10-19,30,41H,1-9,20-29H2/b40-39+
InChIKey XDMSPFOSPVXIJG-XQQUEIPISA-N
Molecular Weight 678.823 g/mol
SMILES Oc1ccc(\N=N\c2ccc(OCCCCCCCCCCCOC(c3cc4c(OCCOCCOCCOCCO4)cc3)=O)cc2)cc1
SPLASH splash10-002b-0090005000-f8d7bd5b1d5b67bc9e8f
Source of Spectrum AJ-69-2124-5
Wiley ID 773837