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4,5-Dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxyacetyl)-1H-pyrazole
SpectraBase Compound ID 6CicgvXNmtT
InChI InChI=1S/C21H23N3O8/c1-28-14-6-7-15(19(10-14)30-3)17-11-16(22-23(17)21(25)12-32-24(26)27)13-5-8-18(29-2)20(9-13)31-4/h5-10,17H,11-12H2,1-4H3
InChIKey CJUSRFWYSOUUIC-UHFFFAOYSA-N
Mol Weight 445.43 g/mol
Molecular Formula C21H23N3O8
Exact Mass 445.148515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b0ZK1phXpJ
Name 4,5-Dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1-(2-nitrooxyacetyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O8
InChI InChI=1S/C21H23N3O8/c1-28-14-6-7-15(19(10-14)30-3)17-11-16(22-23(17)21(25)12-32-24(26)27)13-5-8-18(29-2)20(9-13)31-4/h5-10,17H,11-12H2,1-4H3
InChIKey CJUSRFWYSOUUIC-UHFFFAOYSA-N
Molecular Weight 445.428 g/mol
SMILES C1(=NN(C(C1)c1c(cc(cc1)OC)OC)C(=O)CON(=O)=O)c1cc(c(cc1)OC)OC
SPLASH splash10-0006-1903100000-cdadf65ace39fa717a83
Source of Spectrum F2-44-3074-9b
Synonyms Nitric acid [2-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester [2-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] nitrate [2-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] nitrate [2-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] nitrate
Wiley ID 1716215