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5-(2,6-Dichlorophenyl)-4,5-dihydro-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxypropionyl)-1H-pyrazole
SpectraBase Compound ID CNiFRma0MXP
InChI InChI=1S/C20H19Cl2N3O6/c1-11(31-25(27)28)20(26)24-16(19-13(21)5-4-6-14(19)22)10-15(23-24)12-7-8-17(29-2)18(9-12)30-3/h4-9,11,16H,10H2,1-3H3
InChIKey OFCYRXLQGOZIPX-UHFFFAOYSA-N
Mol Weight 468.29 g/mol
Molecular Formula C20H19Cl2N3O6
Exact Mass 467.065091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hax987bfUyy
Name 5-(2,6-Dichlorophenyl)-4,5-dihydro-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxypropionyl)-1H-pyrazole
Alternate Name(s) Nitric acid [1-[3-(2,6-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-oxopropan-2-yl] ester [1-[3-(2,6-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-oxopropan-2-yl] nitrate [2-[3-(2,6-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-methyl-2-oxo-ethyl] nitrate [1-[3-[2,6-bis(chloranyl)phenyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-oxidanylidene-propan-2-yl] nitrate
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Formula C20H19Cl2N3O6
InChI InChI=1S/C20H19Cl2N3O6/c1-11(31-25(27)28)20(26)24-16(19-13(21)5-4-6-14(19)22)10-15(23-24)12-7-8-17(29-2)18(9-12)30-3/h4-9,11,16H,10H2,1-3H3
InChIKey OFCYRXLQGOZIPX-UHFFFAOYSA-N
Molecular Weight 468.293 g/mol
SMILES C1(=NN(C(C1)c1c(cccc1Cl)Cl)C(=O)C(C)ON(=O)=O)c1cc(c(cc1)OC)OC
SPLASH splash10-0rmi-1292500000-693f53cd0974ad6a4cee
Source of Spectrum F2-44-3075-11c
Wiley ID 1716210