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4-(4-octyl-6-phenyl-[1, 3, 5]triazin-2-yl)-benzoic acid ethyl ester
SpectraBase Compound ID ECiuNinBTwS
InChI InChI=1S/C26H31N3O2/c1-3-5-6-7-8-12-15-23-27-24(20-13-10-9-11-14-20)29-25(28-23)21-16-18-22(19-17-21)26(30)31-4-2/h9-11,13-14,16-19H,3-8,12,15H2,1-2H3
InChIKey HRCWBZZLVOSIDY-UHFFFAOYSA-N
Mol Weight 417.55 g/mol
Molecular Formula C26H31N3O2
Exact Mass 417.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPQmIp80LZg
Name 4-(4-octyl-6-phenyl-[1, 3, 5]triazin-2-yl)-benzoic acid ethyl ester
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Formula C26H31N3O2
InChI InChI=1S/C26H31N3O2/c1-3-5-6-7-8-12-15-23-27-24(20-13-10-9-11-14-20)29-25(28-23)21-16-18-22(19-17-21)26(30)31-4-2/h9-11,13-14,16-19H,3-8,12,15H2,1-2H3
InChIKey HRCWBZZLVOSIDY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102173z
Molecular Weight 417.553 g/mol
SMILES c1(nc(-c2ccccc2)nc(-c2ccc(cc2)C(OCC)=O)n1)CCCCCCCC
SPLASH splash10-014i-0109000000-b9348a61c7c2fad45401
Source of Spectrum A1-12-5398/SMS12-5a
Synonyms Ethyl 4-(4-octyl-6-phenyl-1,3,5-triazin-2-yl)benzoate
Wiley ID 1752651