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Propanedioic acid, 2-[[4-bromo-3-pentadecyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]oxy]-, diethyl ester
SpectraBase Compound ID JBXbLBYPVpr
InChI InChI=1S/C31H44BrCl3N2O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-25-26(32)29(42-28(30(38)40-5-2)31(39)41-6-3)37(36-25)27-23(34)20-22(33)21-24(27)35/h20-21,28H,4-19H2,1-3H3
InChIKey RVKUNNRBPBKCAU-UHFFFAOYSA-N
Mol Weight 711.0 g/mol
Molecular Formula C31H44BrCl3N2O5
Exact Mass 708.149919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aUNtodFiKs
Name Propanedioic acid, 2-[[4-bromo-3-pentadecyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]oxy]-, diethyl ester
Alternate Name(s) Diethyl 2-((4-bromo-3-pentadecyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl)oxy)malonate Diethyl {[4-bromo-3-pentadecyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]oxy}propanedioate 2-[[4-bromo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-3-pyrazolyl]oxy]propanedioic acid diethyl ester Diethyl 2-[4-bromo-5-pentadecyl-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]oxypropanedioate Diethyl 2-[4-bromanyl-5-pentadecyl-2-[2,4,6-tris(chloranyl)phenyl]pyrazol-3-yl]oxypropanedioate
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Formula C31H44BrCl3N2O5
InChI InChI=1S/C31H44BrCl3N2O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-25-26(32)29(42-28(30(38)40-5-2)31(39)41-6-3)37(36-25)27-23(34)20-22(33)21-24(27)35/h20-21,28H,4-19H2,1-3H3
InChIKey RVKUNNRBPBKCAU-UHFFFAOYSA-N
Molecular Weight 710.965 g/mol
SMILES CCCCCCCCCCCCCCCc1n[n](c(OC(C(=O)OCC)C(=O)OCC)c1Br)-c1c(Cl)cc(Cl)cc1Cl
SPLASH splash10-03xr-5110090100-0ba7f6c023de6be80c45
Source of Spectrum JX-2015-4-1459
Wiley ID 1726842