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1-(3,4-DICHLOROBENZYL)-1,2-DIHYDRO-2-OXOTHIO-3-PYRIDINECARBAMIC ACID, S-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL) ESTER
SpectraBase Compound ID H077D8CewZy
InChI InChI=1S/C20H13Cl2F3N2O2S/c21-15-7-6-12(9-16(15)22)11-27-8-2-5-17(18(27)28)26-19(29)30-14-4-1-3-13(10-14)20(23,24)25/h1-10H,11H2,(H,26,29)
InChIKey ZZKAZTPBAYHKCB-UHFFFAOYSA-N
Mol Weight 473.3 g/mol
Molecular Formula C20H13Cl2F3N2O2S
Exact Mass 472.002689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8KOM1NLnrZW
Name 1-(3,4-DICHLOROBENZYL)-1,2-DIHYDRO-2-OXOTHIO-3-PYRIDINECARBAMIC ACID, S-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL) ESTER
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13Cl2F3N2O2S
InChI InChI=1S/C20H13Cl2F3N2O2S/c21-15-7-6-12(9-16(15)22)11-27-8-2-5-17(18(27)28)26-19(29)30-14-4-1-3-13(10-14)20(23,24)25/h1-10H,11H2,(H,26,29)
InChIKey ZZKAZTPBAYHKCB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 148-149C
Molecular Weight 473.30
Solvent CDCl3; Reference=TMS; Temperature 297K