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2-[[4-[(2-keto-2-nonoxy-ethyl)thio]-6-(N-phenylanilino)-s-triazin-2-yl]thio]acetic acid nonyl ester
SpectraBase Compound ID A2BvI27yaJ1
InChI InChI=1S/C37H52N4O4S2/c1-3-5-7-9-11-13-21-27-44-33(42)29-46-36-38-35(41(31-23-17-15-18-24-31)32-25-19-16-20-26-32)39-37(40-36)47-30-34(43)45-28-22-14-12-10-8-6-4-2/h15-20,23-26H,3-14,21-22,27-30H2,1-2H3
InChIKey UTULFIIKLQASHR-UHFFFAOYSA-N
Mol Weight 681.0 g/mol
Molecular Formula C37H52N4O4S2
Exact Mass 680.342999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzthNuAXvU0
Name 2-[[4-[(2-keto-2-nonoxy-ethyl)thio]-6-(N-phenylanilino)-s-triazin-2-yl]thio]acetic acid nonyl ester
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Formula C37H52N4O4S2
InChI InChI=1S/C37H52N4O4S2/c1-3-5-7-9-11-13-21-27-44-33(42)29-46-36-38-35(41(31-23-17-15-18-24-31)32-25-19-16-20-26-32)39-37(40-36)47-30-34(43)45-28-22-14-12-10-8-6-4-2/h15-20,23-26H,3-14,21-22,27-30H2,1-2H3
InChIKey UTULFIIKLQASHR-UHFFFAOYSA-N
Molecular Weight 680.967 g/mol
SMILES c1(nc(SCC(=O)OCCCCCCCCC)nc(n1)SCC(=O)OCCCCCCCCC)N(c1ccccc1)c1ccccc1
SPLASH splash10-0006-9211002000-6112ddc42fa2340336a9
Synonyms 2-[[4-[(2-nonoxy-2-oxoethyl)thio]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]thio]acetic acid nonyl ester nonyl 2-[[4-(2-nonoxy-2-oxo-ethyl)sulfanyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetate nonyl 2-[[4-(diphenylamino)-6-(2-nonoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,5-triazin-2-yl]sulfanyl]ethanoate
Wiley ID 1444852