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4-(2-Chloro-1,1,2-trifluoro-2-trifluoromethoxy-ethylsulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

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4-(2-Chloro-1,1,2-trifluoro-2-trifluoromethoxy-ethylsulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
SpectraBase Compound ID BcehIvaxKRp
InChI InChI=1S/C14H11ClF6N2O2S/c1-8-10(26-13(17,18)12(15,16)25-14(19,20)21)11(24)23(22(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey VPSMBDFPVVSFJQ-UHFFFAOYSA-N
Mol Weight 420.76 g/mol
Molecular Formula C14H11ClF6N2O2S
Exact Mass 420.013395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hi4ga9qWEP6
Name 3H-pyrazol-3-one, 4-[[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]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 420.013395452 u
Formula C14H11ClF6N2O2S
InChI InChI=1S/C14H11ClF6N2O2S/c1-8-10(26-13(17,18)12(15,16)25-14(19,20)21)11(24)23(22(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey VPSMBDFPVVSFJQ-UHFFFAOYSA-N
Molecular Weight 420.757 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15527
Solvent DMSO-d6
Source Vendor ID: ZI/10039042; Lab Info: SIZ; Lab Number: SIZ-0417046