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3-(4-tert-butylbenzyl)oxy-2-[2-[3-[2-[3-(4-tert-butylbenzyl)oxy-2-pyridyl]ethynyl]-2-chloro-5-nitro-phenyl]ethynyl]pyridine
SpectraBase Compound ID F9fv95Fp121
InChI InChI=1S/C42H38ClN3O4/c1-41(2,3)33-17-11-29(12-18-33)27-49-38-9-7-23-44-36(38)21-15-31-25-35(46(47)48)26-32(40(31)43)16-22-37-39(10-8-24-45-37)50-28-30-13-19-34(20-14-30)42(4,5)6/h7-14,17-20,23-26H,27-28H2,1-6H3
InChIKey NULRHLBQYFUABX-UHFFFAOYSA-N
Mol Weight 684.2 g/mol
Molecular Formula C42H38ClN3O4
Exact Mass 683.255084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKAyXuUmzri
Name 3-(4-tert-butylbenzyl)oxy-2-[2-[3-[2-[3-(4-tert-butylbenzyl)oxy-2-pyridyl]ethynyl]-2-chloro-5-nitro-phenyl]ethynyl]pyridine
Alternate Name(s) 3-[(4-tert-butylphenyl)methoxy]-2-[2-[3-[2-[3-[(4-tert-butylphenyl)methoxy]-2-pyridinyl]ethynyl]-2-chloro-5-nitrophenyl]ethynyl]pyridine 3-[(4-tert-butylphenyl)methoxy]-2-[2-[3-[2-[3-[(4-tert-butylphenyl)methoxy]-2-pyridyl]ethynyl]-2-chloro-5-nitro-phenyl]ethynyl]pyridine 3-[(4-tert-butylphenyl)methoxy]-2-[2-[3-[2-[3-[(4-tert-butylphenyl)methoxy]pyridin-2-yl]ethynyl]-2-chloranyl-5-nitro-phenyl]ethynyl]pyridine 3-[(4-tert-butylphenyl)methoxy]-2-[2-[3-[2-[3-[(4-tert-butylphenyl)methoxy]pyridin-2-yl]ethynyl]-2-chloro-5-nitrophenyl]ethynyl]pyridine
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Formula C42H38ClN3O4
InChI InChI=1S/C42H38ClN3O4/c1-41(2,3)33-17-11-29(12-18-33)27-49-38-9-7-23-44-36(38)21-15-31-25-35(46(47)48)26-32(40(31)43)16-22-37-39(10-8-24-45-37)50-28-30-13-19-34(20-14-30)42(4,5)6/h7-14,17-20,23-26H,27-28H2,1-6H3
InChIKey NULRHLBQYFUABX-UHFFFAOYSA-N
Molecular Weight 684.236 g/mol
SMILES c1(N(=O)=O)cc(C#Cc2ncccc2OCc2ccc(C(C)(C)C)cc2)c(c(C#Cc2ncccc2OCc2ccc(C(C)(C)C)cc2)c1)Cl
SPLASH splash10-0002-0900006000-aef8c02167dae76e1e8d
Source of Spectrum J-60-7190-13
Wiley ID 1414445