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Benzoxazole, 5,7-bis(1,1-dimethylpropyl)-2-[4-[2-[4-(5-nitro-2-benzoxazolyl)phenyl]ethynyl]phenyl]-
SpectraBase Compound ID 6AJQ00l757i
InChI InChI=1S/C38H35N3O4/c1-7-37(3,4)28-21-30(38(5,6)8-2)34-32(22-28)40-36(45-34)27-17-13-25(14-18-27)10-9-24-11-15-26(16-12-24)35-39-31-23-29(41(42)43)19-20-33(31)44-35/h11-23H,7-8H2,1-6H3
InChIKey ULWVFGOMWYRZMA-UHFFFAOYSA-N
Mol Weight 597.7 g/mol
Molecular Formula C38H35N3O4
Exact Mass 597.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOeLZLPyyjR
Name Benzoxazole, 5,7-bis(1,1-dimethylpropyl)-2-[4-[2-[4-(5-nitro-2-benzoxazolyl)phenyl]ethynyl]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H35N3O4
InChI InChI=1S/C38H35N3O4/c1-7-37(3,4)28-21-30(38(5,6)8-2)34-32(22-28)40-36(45-34)27-17-13-25(14-18-27)10-9-24-11-15-26(16-12-24)35-39-31-23-29(41(42)43)19-20-33(31)44-35/h11-23H,7-8H2,1-6H3
InChIKey ULWVFGOMWYRZMA-UHFFFAOYSA-N
Molecular Weight 597.715 g/mol
SMILES CCC(C)(C)c1cc(c2oc(nc2c1)-c1ccc(C#Cc2ccc(cc2)-c2nc3cc(ccc3o2)[N+]([O-])=O)cc1)C(C)(C)CC
SPLASH splash10-014l-9210030000-90aa02b7935262de3120
Source of Spectrum JX-2015-4-1294
Synonyms 2-(4-((4-(5-nitrobenzo[d]oxazol-2-yl)phenyl)ethynyl)phenyl)-5,7-di-tert-pentylbenzo[d]oxazole 5,7-Bis(2-methylbutan-2-yl)-2-(4-{[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]ethynyl}phenyl)-1,3-benzoxazole 5,7-Bis(1,1-dimethylpropyl)-2-[4-[2-[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]ethynyl]phenyl]-1,3-benzoxazole 5,7-Bis(2-methylbutan-2-yl)-2-[4-[2-[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]ethynyl]phenyl]-1,3-benzoxazole
Wiley ID 1726684