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1-Methylundecyl 2-[[4-[2-(1-methylundecoxy)-2-oxo-ethyl]sulfanyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetate
SpectraBase Compound ID I2TPb5P3aap
InChI InChI=1S/C43H64N4O4S2/c1-5-7-9-11-13-15-17-21-27-35(3)50-39(48)33-52-42-44-41(47(37-29-23-19-24-30-37)38-31-25-20-26-32-38)45-43(46-42)53-34-40(49)51-36(4)28-22-18-16-14-12-10-8-6-2/h19-20,23-26,29-32,35-36H,5-18,21-22,27-28,33-34H2,1-4H3
InChIKey NWJPTKHXWLOOBT-UHFFFAOYSA-N
Mol Weight 765.1 g/mol
Molecular Formula C43H64N4O4S2
Exact Mass 764.436899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID q2oUmOphNM
Name 1-Methylundecyl 2-[[4-[2-(1-methylundecoxy)-2-oxo-ethyl]sulfanyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetate
Alternate Name(s) 2-[[4-[(2-dodecan-2-yloxy-2-oxoethyl)thio]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]thio]acetic acid dodecan-2-yl ester 2-[[4-[[2-keto-2-(1-methylundecoxy)ethyl]thio]-6-(N-phenylanilino)-s-triazin-2-yl]thio]acetic acid 1-methylundecyl ester Dodecan-2-yl 2-[[4-(2-dodecan-2-yloxy-2-oxoethyl)sulfanyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetate Dodecan-2-yl 2-[[4-(diphenylamino)-6-(2-dodecan-2-yloxy-2-oxidanylidene-ethyl)sulfanyl-1,3,5-triazin-2-yl]sulfanyl]ethanoate
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Formula C43H64N4O4S2
InChI InChI=1S/C43H64N4O4S2/c1-5-7-9-11-13-15-17-21-27-35(3)50-39(48)33-52-42-44-41(47(37-29-23-19-24-30-37)38-31-25-20-26-32-38)45-43(46-42)53-34-40(49)51-36(4)28-22-18-16-14-12-10-8-6-2/h19-20,23-26,29-32,35-36H,5-18,21-22,27-28,33-34H2,1-4H3
InChIKey NWJPTKHXWLOOBT-UHFFFAOYSA-N
Molecular Weight 765.129 g/mol
SMILES c1(nc(SCC(=O)OC(CCCCCCCCCC)C)nc(n1)SCC(=O)OC(CCCCCCCCCC)C)N(c1ccccc1)c1ccccc1
SPLASH splash10-052f-9211000200-7372f0f6d7534552a79b
Wiley ID 1444432