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2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
SpectraBase Compound ID GlFw2PEkvu1
InChI InChI=1S/C16H14F4N4OS/c17-14(18)10-5-11(15(19)20)24(23-10)7-13(25)22-16-9(6-21)8-3-1-2-4-12(8)26-16/h5,14-15H,1-4,7H2,(H,22,25)
InChIKey XIXIMPJRQPIMAP-UHFFFAOYSA-N
Mol Weight 386.37 g/mol
Molecular Formula C16H14F4N4OS
Exact Mass 386.082445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8BLdF81EHIN
Name 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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/C16H14F4N4OS/c17-14(18)10-5-11(15(19)20)24(23-10)7-13(25)22-16-9(6-21)8-3-1-2-4-12(8)26-16/h5,14-15H,1-4,7H2,(H,22,25)
InChIKey XIXIMPJRQPIMAP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14229
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: UZI/1011283; UBI_ID: UBI-014232
Temperature 308 °C