4-(1,3-Dithian-2-yliden)-3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one

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Systematic / IUPAC Name: 4-(1,3-Dithian-2-ylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

ID: Reference4549

Other Names: 3H-Pyrazol-3-one, 4-(1,3-dithian-2-ylidene)-2,4-dihydro-5-methyl-2-(4-methylphenyl)-

Formula: C15H16N2OS2

Spectral Data

4-(1,3-Dithian-2-yliden)-3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 7:51:52 AM
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Identificators

InChI InChI=1S/C15H16N2OS2/c1-10-4-6-12(7-5-10)17-14(18)13(11(2)16-17)15-19-8-3-9-20-15/h4-7H,3,8-9H2,1-2H3
InChI Key WJAGUYHXFJSWIP-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)N2C(=O)C(=C3SCCCS3)C(=N2)C
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Other Names 3H-Pyrazol-3-one, 4-(1,3-dithian-2-ylidene)-2,4-dihydro-5-methyl-2-(4-methylphenyl)-

In Other Databases

PubChem 2737986
ChemSpider 2019612