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Benzoxazole, 2,2'-(1,2-ethynediyldi-4,1-phenylene)bis[5,7-bis(1,1-dimethylpropyl)-
SpectraBase Compound ID If8BPaAv7Po
InChI InChI=1S/C48H56N2O2/c1-13-45(5,6)35-27-37(47(9,10)15-3)41-39(29-35)49-43(51-41)33-23-19-31(20-24-33)17-18-32-21-25-34(26-22-32)44-50-40-30-36(46(7,8)14-2)28-38(42(40)52-44)48(11,12)16-4/h19-30H,13-16H2,1-12H3
InChIKey FCOQSWRZSGUBSB-UHFFFAOYSA-N
Mol Weight 693.0 g/mol
Molecular Formula C48H56N2O2
Exact Mass 692.434179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6mBHd9n3iB
Name Benzoxazole, 2,2'-(1,2-ethynediyldi-4,1-phenylene)bis[5,7-bis(1,1-dimethylpropyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H56N2O2
InChI InChI=1S/C48H56N2O2/c1-13-45(5,6)35-27-37(47(9,10)15-3)41-39(29-35)49-43(51-41)33-23-19-31(20-24-33)17-18-32-21-25-34(26-22-32)44-50-40-30-36(46(7,8)14-2)28-38(42(40)52-44)48(11,12)16-4/h19-30H,13-16H2,1-12H3
InChIKey FCOQSWRZSGUBSB-UHFFFAOYSA-N
Molecular Weight 692.988 g/mol
SMILES CCC(C)(C)c1cc(c2oc(nc2c1)-c1ccc(C#Cc2ccc(cc2)-c2nc3cc(cc(c3o2)C(C)(C)CC)C(C)(C)CC)cc1)C(C)(C)CC
SPLASH splash10-0006-5101009000-6680b08cfba4f3a56e6d
Source of Spectrum JX-2015-4-1441
Synonyms 1,2-Bis(4-(5,7-di-tert-pentylbenzo[d]oxazol-2-yl)phenyl)ethyne 2,2'-(ethyne-1,2-diyldibenzene-4,1-diyl)bis[5,7-bis(2-methylbutan-2-yl)-1,3-benzoxazole] 2-[4-[2-[4-[5,7-bis(1,1-dimethylpropyl)-1,3-benzoxazol-2-yl]phenyl]ethynyl]phenyl]-5,7-bis(1,1-dimethylpropyl)-1,3-benzoxazole 2-[4-[2-[4-[5,7-bis(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl]ethynyl]phenyl]-5,7-bis(2-methylbutan-2-yl)-1,3-benzoxazole
Wiley ID 1726825