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4-(1,1,2,3,3,3-Hexafluoro-propylsulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-(1,1,2,3,3,3-Hexafluoro-propylsulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
SpectraBase Compound ID 5h2nRd7O5c5
InChI InChI=1S/C14H12F6N2OS/c1-8-10(24-14(19,20)12(15)13(16,17)18)11(23)22(21(8)2)9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKey QQSNXCCQBJRRGW-UHFFFAOYSA-N
Mol Weight 370.31 g/mol
Molecular Formula C14H12F6N2OS
Exact Mass 370.057453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DovkY0Bf4PN
Name 3H-pyrazol-3-one, 4-[(1,1,2,3,3,3-hexafluoropropyl)thio]-1,2-dihydro-1,5-dimethyl-2-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.057453165 u
Formula C14H12F6N2OS
InChI InChI=1S/C14H12F6N2OS/c1-8-10(24-14(19,20)12(15)13(16,17)18)11(23)22(21(8)2)9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKey QQSNXCCQBJRRGW-UHFFFAOYSA-N
Molecular Weight 370.313 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15534
Solvent DMSO-d6
Source Vendor ID: ZI/10039364; Lab Info: SIZ; Lab Number: SIZ-0417004