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1-{4-[(p-CHLOROBENZYL)SULFONYL]-alpha,alpha,alpha-TRIFLUORO-m-TOLYL}-3-(2,6-DIFLUOROBENZOYL)UREA
SpectraBase Compound ID I7T5nGm2zf8
InChI InChI=1S/C22H14ClF5N2O4S/c23-13-6-4-12(5-7-13)11-35(33,34)18-9-8-14(10-15(18)22(26,27)28)29-21(32)30-20(31)19-16(24)2-1-3-17(19)25/h1-10H,11H2,(H2,29,30,31,32)
InChIKey NDNGKHXOLQYIBL-UHFFFAOYSA-N
Mol Weight 532.87 g/mol
Molecular Formula C22H14ClF5N2O4S
Exact Mass 532.028297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EeMRrd2kIrN
Name 1-{4-[(p-CHLOROBENZYL)SULFONYL]-alpha,alpha,alpha-TRIFLUORO-m-TOLYL}-3-(2,6-DIFLUOROBENZOYL)UREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClF5N2O4S
InChI InChI=1S/C22H14ClF5N2O4S/c23-13-6-4-12(5-7-13)11-35(33,34)18-9-8-14(10-15(18)22(26,27)28)29-21(32)30-20(31)19-16(24)2-1-3-17(19)25/h1-10H,11H2,(H2,29,30,31,32)
InChIKey NDNGKHXOLQYIBL-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 216-218C
Molecular Weight 532.87
Solvent DMSO-d6; Reference=TMS; Temperature 297K