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N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID D4qH0ZHxnB1
InChI InChI=1S/C22H14F3N5OS/c23-12-6-4-11(5-7-12)16-8-17(19(24)25)30-20(28-16)15(10-27-30)21(31)29-22-14(9-26)13-2-1-3-18(13)32-22/h4-8,10,19H,1-3H2,(H,29,31)
InChIKey CRLIALYOEWDBGW-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C22H14F3N5OS
Exact Mass 453.087116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5c6RnIm0KuX
Name N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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/C22H14F3N5OS/c23-12-6-4-11(5-7-12)16-8-17(19(24)25)30-20(28-16)15(10-27-30)21(31)29-22-14(9-26)13-2-1-3-18(13)32-22/h4-8,10,19H,1-3H2,(H,29,31)
InChIKey CRLIALYOEWDBGW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_988
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/1232343; Labnumber: AC-NHALL/0415632; UZI_ID: UZI-000990
Temperature 306 °C