5-Phenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)-2,4-dihydro-3H-pyrazol-3-one

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Systematic / IUPAC Name: (4Z)-5-Phenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)-2,4-dihydro-3H-pyrazol-3-one

ID: Reference4587

Other Names: 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)-, (4Z)-

Formula: C18H12N2O2S

Spectral Data

5-Phenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)-2,4-dihydro-3H-pyrazol-3-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 4/18/2016 12:37:55 PM
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Identificators

InChI InChI=1S/C18H12N2O2S/c21-17-15(16(19-20-17)13-9-5-2-6-10-13)18-22-14(11-23-18)12-7-3-1-4-8-12/h1-11H,(H,20,21)/b18-15-
InChI Key HZOGXUYUINVBII-SDXDJHTJSA-N
Canonical SMILES C1=CC=C(C=C1)C2=CSC(=C3C(=NNC3=O)C4=CC=CC=C4)O2
CAS
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Other Names 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)-, (4Z)-

In Other Databases

PubChem 2816210
ChemSpider 2094557