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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 8HDaLJRF5AY
InChI InChI=1S/C25H23F3N6OS/c26-25(27,28)20-9-17(19-2-1-5-36-19)29-22-10-18(31-34(20)22)23(35)30-21-3-4-33(32-21)24-11-14-6-15(12-24)8-16(7-14)13-24/h1-5,9-10,14-16H,6-8,11-13H2,(H,30,32,35)
InChIKey MLLMCXYGHYOPGL-UHFFFAOYSA-N
Mol Weight 512.56 g/mol
Molecular Formula C25H23F3N6OS
Exact Mass 512.160615 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 541BfeNdmem
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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/C25H23F3N6OS/c26-25(27,28)20-9-17(19-2-1-5-36-19)29-22-10-18(31-34(20)22)23(35)30-21-3-4-33(32-21)24-11-14-6-15(12-24)8-16(7-14)13-24/h1-5,9-10,14-16H,6-8,11-13H2,(H,30,32,35)
InChIKey MLLMCXYGHYOPGL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_727
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/1155785; Labnumber: AC-NHALL/0249486; UZI_ID: UZI-000729
Temperature 313 °C