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4-(.alpha.-(3,4-dimethoxybenzoyloxy)acetyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
SpectraBase Compound ID 2duGT692PFL
InChI InChI=1S/C22H22N2O6/c1-14-20(21(26)24(23(14)2)16-8-6-5-7-9-16)17(25)13-30-22(27)15-10-11-18(28-3)19(12-15)29-4/h5-12H,13H2,1-4H3
InChIKey SFLVXHGZTBXFBV-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C22H22N2O6
Exact Mass 410.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdR8dQGTKQj
Name 4-(.alpha.-(3,4-dimethoxybenzoyloxy)acetyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Alternate Name(s) 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxoethyl 3,4-dimethoxybenzoate 3,4-Dimethoxybenzoic acid [2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-oxoethyl] ester [2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxoethyl] 3,4-dimethoxybenzoate [2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl] 3,4-dimethoxybenzoate [2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate
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Formula C22H22N2O6
InChI InChI=1S/C22H22N2O6/c1-14-20(21(26)24(23(14)2)16-8-6-5-7-9-16)17(25)13-30-22(27)15-10-11-18(28-3)19(12-15)29-4/h5-12H,13H2,1-4H3
InChIKey SFLVXHGZTBXFBV-UHFFFAOYSA-N
Molecular Weight 410.426 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)C(COC(c1cc(OC)c(cc1)OC)=O)=O
SPLASH splash10-014i-8390000000-502237a9329f252d1a9f
Source of Spectrum EMC-35-362-5a
Wiley ID 1734598