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5-(2,6-Dichlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1-(2-nitrooxyacetyl)-1H-pyrazole
SpectraBase Compound ID Iim7kO1SueY
InChI InChI=1S/C18H15Cl2N3O5/c1-27-12-7-5-11(6-8-12)15-9-16(18-13(19)3-2-4-14(18)20)22(21-15)17(24)10-28-23(25)26/h2-8,16H,9-10H2,1H3
InChIKey BHPGDTLJKPTRSX-UHFFFAOYSA-N
Mol Weight 424.24 g/mol
Molecular Formula C18H15Cl2N3O5
Exact Mass 423.038876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GghKTrDAlWN
Name 5-(2,6-Dichlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1-(2-nitrooxyacetyl)-1H-pyrazole
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Formula C18H15Cl2N3O5
InChI InChI=1S/C18H15Cl2N3O5/c1-27-12-7-5-11(6-8-12)15-9-16(18-13(19)3-2-4-14(18)20)22(21-15)17(24)10-28-23(25)26/h2-8,16H,9-10H2,1H3
InChIKey BHPGDTLJKPTRSX-UHFFFAOYSA-N
Molecular Weight 424.240 g/mol
SMILES C1(=NN(C(C1)c1c(cccc1Cl)Cl)C(=O)CON(=O)=O)c1ccc(cc1)OC
SPLASH splash10-0fi0-9465600000-0a5341c8b74bb51da035
Source of Spectrum F2-44-3074-9d
Synonyms Nitric acid [2-[3-(2,6-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester [2-[3-(2,6-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] nitrate [2-[3-(2,6-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] nitrate [2-[3-[2,6-bis(chloranyl)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] nitrate
Wiley ID 1716213