(4-Chlorophenyl){5-[3-(4-chlorophenyl)-5-methylisoxazol-4-yl]-1H-pyrazol-1-yl}methanone

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Systematic / IUPAC Name: (4-Chlorophenyl){5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-pyrazol-1-yl}methanone

ID: Reference4647

Other Names: Methanone, (4-chlorophenyl){5-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-1H-pyrazol-1-yl}-

Formula: C20H13Cl2N3O2

Spectral Data

(4-Chlorophenyl){5-[3-(4-chlorophenyl)-5-methylisoxazol-4-yl]-1H-pyrazol-1-yl}methanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/26/2016 9:01:34 AM
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Identificators

InChI InChI=1S/C20H13Cl2N3O2/c1-12-18(19(24-27-12)13-2-6-15(21)7-3-13)17-10-11-23-25(17)20(26)14-4-8-16(22)9-5-14/h2-11H,1H3
InChI Key XDNAMIUZBGJMQZ-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=NN3C(=O)C4=CC=C(C=C4)Cl
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Other Names Methanone, (4-chlorophenyl){5-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-1H-pyrazol-1-yl}-

In Other Databases

PubChem 2745581
ChemSpider 2027061