3-[(2,4-Dichlorobenzyl)sulfonyl]-1,5-dimethyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyridazin-4-one

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Systematic / IUPAC Name: 3-[(2,4-Dichlorobenzyl)sulfonyl]-1,5-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one

ID: Reference4307

Other Names: 3-{[(2,4-Dichlorophenyl)methane]sulfonyl}-1,5-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one;
4H-Pyrazolo[3,4-d]pyridazin-4-one, 3-{[(2,4-dichlorophenyl)methyl]sulfonyl}-1,5-dihydro-1,5-dimethyl-

Formula: C14H12Cl2N4O3S

Spectral Data

3-[(2,4-Dichlorobenzyl)sulfonyl]-1,5-dimethyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyridazin-4-one 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 2
No. of Spectra 224
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/21/2016 9:59:14 AM
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Identificators

InChI InChI=1S/C14H12Cl2N4O3S/c1-19-11-6-17-20(2)14(21)12(11)13(18-19)24(22,23)7-8-3-4-9(15)5-10(8)16/h3-6H,7H2,1-2H3
InChI Key PSOSKLKCNQYNJT-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(C(=N1)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl)C(=O)N(N=C2)C
CAS
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Other Names 3-{[(2,4-Dichlorophenyl)methane]sulfonyl}-1,5-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one;
4H-Pyrazolo[3,4-d]pyridazin-4-one, 3-{[(2,4-dichlorophenyl)methyl]sulfonyl}-1,5-dihydro-1,5-dimethyl-

In Other Databases

PubChem 2801226
ChemSpider 2079939