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1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-gamma-oxo-
SpectraBase Compound ID CCwjNeoKlFI
InChI InChI=1S/C21H21BrN2O5/c1-28-15-7-8-19(29-2)16(11-15)18-12-17(13-3-5-14(22)6-4-13)23-24(18)20(25)9-10-21(26)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27)
InChIKey QOENYIUDIWSFAE-UHFFFAOYSA-N
Mol Weight 461.31 g/mol
Molecular Formula C21H21BrN2O5
Exact Mass 460.063385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9Vv7a5G0ia
Name 4-[3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid
Alternate Name(s) 4-[3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid 4-[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid 4-[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid
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Formula C21H21BrN2O5
InChI InChI=1S/C21H21BrN2O5/c1-28-15-7-8-19(29-2)16(11-15)18-12-17(13-3-5-14(22)6-4-13)23-24(18)20(25)9-10-21(26)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27)
InChIKey QOENYIUDIWSFAE-UHFFFAOYSA-N
Molecular Weight 461.312 g/mol
SMILES OC(CCC(N1N=C(c2ccc(cc2)Br)CC1c1c(ccc(c1)OC)OC)=O)=O
SPLASH splash10-03di-7914000000-2cd9e8ed3a10b32d4e2e
Wiley ID 1459516