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4-{2,6-Di-(4-Ethoxycarbonylphenyl)phenyl}-1-n-octyl-1H-1,2,3-triazole
SpectraBase Compound ID 9j85bZUCczf
InChI InChI=1S/C34H39N3O4/c1-4-7-8-9-10-11-23-37-24-31(35-36-37)32-29(25-15-19-27(20-16-25)33(38)40-5-2)13-12-14-30(32)26-17-21-28(22-18-26)34(39)41-6-3/h12-22,24H,4-11,23H2,1-3H3
InChIKey RRWJYPVHTPUSJD-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C34H39N3O4
Exact Mass 553.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ELNDPUExHX
Name 4-{2,6-Di-(4-Ethoxycarbonylphenyl)phenyl}-1-n-octyl-1H-1,2,3-triazole
Alternate Name(s) 4-[3-(4-ethoxycarbonylphenyl)-2-(1-octyl-4-triazolyl)phenyl]benzoic acid ethyl ester 4-{2',6'-Di-(4''-ethoxycarbonylphenyl)-phenyl}-1-n-octyl-1H-1,2,3-triazole Ethyl 4-[3-(4-ethoxycarbonylphenyl)-2-(1-octyltriazol-4-yl)phenyl]benzoate Ethyl 4-[3-(4-ethoxycarbonylphenyl)-2-(1-octyl-1,2,3-triazol-4-yl)phenyl]benzoate Diethyl 2'-(1-octyl-1H-1,2,3-triazol-4-yl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylate
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Formula C34H39N3O4
InChI InChI=1S/C34H39N3O4/c1-4-7-8-9-10-11-23-37-24-31(35-36-37)32-29(25-15-19-27(20-16-25)33(38)40-5-2)13-12-14-30(32)26-17-21-28(22-18-26)34(39)41-6-3/h12-22,24H,4-11,23H2,1-3H3
InChIKey RRWJYPVHTPUSJD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1005517
Molecular Weight 553.703 g/mol
SMILES c1(cccc(c1-c1nn[n](c1)CCCCCCCC)-c1ccc(cc1)C(=O)OCC)-c1ccc(cc1)C(=O)OCC
SPLASH splash10-0006-9000040000-0d72caf136d44e2b83bd
Source of Spectrum A1-12-2056/SMS22-5g
Wiley ID 1752161