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4-HYDROXY-alpha,alpha,alpha-TRIFLUORO-p-BENZOTOLUIDIDE, DIMETHYLSULFAMATE (ESTER)
SpectraBase Compound ID 5fc1kCEyNTk
InChI InChI=1S/C16H15F3N2O4S/c1-21(2)26(23,24)25-14-9-3-11(4-10-14)15(22)20-13-7-5-12(6-8-13)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKey BNYNOBGKCZIWSR-UHFFFAOYSA-N
Mol Weight 388.36 g/mol
Molecular Formula C16H15F3N2O4S
Exact Mass 388.070463 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F3w5gJc171Q
Name 4-HYDROXY-alpha,alpha,alpha-TRIFLUORO-p-BENZOTOLUIDIDE, DIMETHYLSULFAMATE (ESTER)
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15F3N2O4S
InChI InChI=1S/C16H15F3N2O4S/c1-21(2)26(23,24)25-14-9-3-11(4-10-14)15(22)20-13-7-5-12(6-8-13)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKey BNYNOBGKCZIWSR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 193-195C
Molecular Weight 388.37
Solvent DMSO-d6; Reference=TMS; Temperature 297K