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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 8TCo2GOKjuE
Name 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_282
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C27562; Labnumber: AKSIN-0005; SBI_ID: SBI-000284
Temperature 306 °C