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5-(2,6-Dichlorophenyl)-4,5-dihydro-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxyacetyl)-1H-pyrazole
SpectraBase Compound ID IKbUUtoU6iq
InChI InChI=1S/C19H17Cl2N3O6/c1-28-16-7-6-11(8-17(16)29-2)14-9-15(19-12(20)4-3-5-13(19)21)23(22-14)18(25)10-30-24(26)27/h3-8,15H,9-10H2,1-2H3
InChIKey DECPENAWCFBEQO-UHFFFAOYSA-N
Mol Weight 454.27 g/mol
Molecular Formula C19H17Cl2N3O6
Exact Mass 453.049441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuM1a1D4LsF
Name 5-(2,6-Dichlorophenyl)-4,5-dihydro-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxyacetyl)-1H-pyrazole
Alternate Name(s) Nitric acid [2-[3-(2,6-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester [2-[3-(2,6-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] nitrate [2-[3-(2,6-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] nitrate [2-[3-[2,6-bis(chloranyl)phenyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] nitrate
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Formula C19H17Cl2N3O6
InChI InChI=1S/C19H17Cl2N3O6/c1-28-16-7-6-11(8-17(16)29-2)14-9-15(19-12(20)4-3-5-13(19)21)23(22-14)18(25)10-30-24(26)27/h3-8,15H,9-10H2,1-2H3
InChIKey DECPENAWCFBEQO-UHFFFAOYSA-N
Molecular Weight 454.266 g/mol
SMILES C1(=NN(C(C1)c1c(cccc1Cl)Cl)C(=O)CON(=O)=O)c1cc(c(cc1)OC)OC
SPLASH splash10-0pb9-0079400000-0875f5b8e0014e8c7d83
Source of Spectrum F2-44-3074-9c
Wiley ID 1716214