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4'-[4-[4-(11-Methacryloyloxy)undecyloxy]phenylazo]phenoxycarbonyl]benzo-15-crown
SpectraBase Compound ID F6V8xtEadLa
InChI InChI=1S/C42H54N2O10/c1-33(2)41(45)53-23-11-9-7-5-3-4-6-8-10-22-50-37-17-13-35(14-18-37)43-44-36-15-19-38(20-16-36)54-42(46)34-12-21-39-40(32-34)52-31-29-49-27-25-47-24-26-48-28-30-51-39/h12-21,32H,1,3-11,22-31H2,2H3/b44-43+
InChIKey IOKLGWNGVXXTPJ-VGFSZAGXSA-N
Mol Weight 746.9 g/mol
Molecular Formula C42H54N2O10
Exact Mass 746.377846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEPAJyNv3bv
Name 4'-[4-[4-(11-Methacryloyloxy)undecyloxy]phenylazo]phenoxycarbonyl]benzo-15-crown
Alternate Name(s) 6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene-2-carboxylic acid 4-{4-[11-(2-methyl-acryloyloxy)-undecyloxy]-phenylazo}-phenyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H54N2O10
InChI InChI=1S/C42H54N2O10/c1-33(2)41(45)53-23-11-9-7-5-3-4-6-8-10-22-50-37-17-13-35(14-18-37)43-44-36-15-19-38(20-16-36)54-42(46)34-12-21-39-40(32-34)52-31-29-49-27-25-47-24-26-48-28-30-51-39/h12-21,32H,1,3-11,22-31H2,2H3/b44-43+
InChIKey IOKLGWNGVXXTPJ-VGFSZAGXSA-N
Molecular Weight 746.898 g/mol
SMILES C(c1cc2c(OCCOCCOCCOCCO2)cc1)(Oc1ccc(\N=N\c2ccc(cc2)OCCCCCCCCCCCOC(C(=C)C)=O)cc1)=O
SPLASH splash10-0002-0090000400-ccec4248f5a48039fcd7
Source of Spectrum AJ-69-2124-8
Wiley ID 773836