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5-(hexahydro-1H-azepin-1-ylcarbonyl)-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
SpectraBase Compound ID 6f8HxzSwnsL
InChI InChI=1S/C19H18F3N3OS/c20-19(21,22)16-14-12-15(17(26)24-10-6-1-2-7-11-24)27-18(14)25(23-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey DHNKJWAHSASYOC-UHFFFAOYSA-N
Mol Weight 393.43 g/mol
Molecular Formula C19H18F3N3OS
Exact Mass 393.112268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DrJDhtw0LCr
Name 5-(hexahydro-1H-azepin-1-ylcarbonyl)-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
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/C19H18F3N3OS/c20-19(21,22)16-14-12-15(17(26)24-10-6-1-2-7-11-24)27-18(14)25(23-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey DHNKJWAHSASYOC-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32360
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: 1847584; SBI_ID: SBI-032364
Temperature 303 °C