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4,5-Dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxypropionyl)-1H-pyrazole
SpectraBase Compound ID FgOOUB1Y5GE
InChI InChI=1S/C22H25N3O8/c1-13(33-25(27)28)22(26)24-18(16-8-7-15(29-2)11-20(16)31-4)12-17(23-24)14-6-9-19(30-3)21(10-14)32-5/h6-11,13,18H,12H2,1-5H3
InChIKey JYOBIRIUTPOQRP-UHFFFAOYSA-N
Mol Weight 459.46 g/mol
Molecular Formula C22H25N3O8
Exact Mass 459.164165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ds2HjOJeo02
Name 4,5-Dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxypropionyl)-1H-pyrazole
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Formula C22H25N3O8
InChI InChI=1S/C22H25N3O8/c1-13(33-25(27)28)22(26)24-18(16-8-7-15(29-2)11-20(16)31-4)12-17(23-24)14-6-9-19(30-3)21(10-14)32-5/h6-11,13,18H,12H2,1-5H3
InChIKey JYOBIRIUTPOQRP-UHFFFAOYSA-N
Molecular Weight 459.455 g/mol
SMILES C1(=NN(C(C1)c1c(cc(cc1)OC)OC)C(=O)C(C)ON(=O)=O)c1cc(c(cc1)OC)OC
SPLASH splash10-0006-1209600000-98059781abed08429f64
Source of Spectrum F2-44-3074-11b
Synonyms Nitric acid [1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-oxopropan-2-yl] ester [1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-oxopropan-2-yl] nitrate [2-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-methyl-2-oxo-ethyl] nitrate [1-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-oxidanylidene-propan-2-yl] nitrate
Wiley ID 1716211