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3-(DIMETHYLAMINO)-4-PHENYLTHIO-alpha,alpha,alpha-TRIFLUOROPYRAZOLE-1-CARBOXY-m-TOLUIDIDE
SpectraBase Compound ID 1xltxy9kxvP
InChI InChI=1S/C19H17F3N4S/c1-25(2)17-16(13-7-4-3-5-8-13)12-26(24-17)18(27)23-15-10-6-9-14(11-15)19(20,21)22/h3-12H,1-2H3,(H,23,27)
InChIKey QZGKDKHINWROPH-UHFFFAOYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C19H17F3N4S
Exact Mass 390.112602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4r0l0NmRKFh
Name 3-(DIMETHYLAMINO)-4-PHENYLTHIO-alpha,alpha,alpha-TRIFLUOROPYRAZOLE-1-CARBOXY-m-TOLUIDIDE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F3N4S
InChI InChI=1S/C19H17F3N4S/c1-25(2)17-16(13-7-4-3-5-8-13)12-26(24-17)18(27)23-15-10-6-9-14(11-15)19(20,21)22/h3-12H,1-2H3,(H,23,27)
InChIKey QZGKDKHINWROPH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 85-87C
Molecular Weight 390.43
Solvent CDCl3; Reference=TMS; Temperature 297K