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7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID GknDnnjOu1r
InChI InChI=1S/C26H25F2N5O3S/c27-24(28)23-16-22(18-8-4-3-5-9-18)31-25-21(17-29-33(23)25)26(34)30-19-10-12-20(13-11-19)37(35,36)32-14-6-1-2-7-15-32/h3-5,8-13,16-17,24H,1-2,6-7,14-15H2,(H,30,34)
InChIKey DXIDQSMHCSTJHW-UHFFFAOYSA-N
Mol Weight 525.57 g/mol
Molecular Formula C26H25F2N5O3S
Exact Mass 525.164617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aeg7IZz5Dz9
Name 7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-phenylpyrazolo[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/C26H25F2N5O3S/c27-24(28)23-16-22(18-8-4-3-5-9-18)31-25-21(17-29-33(23)25)26(34)30-19-10-12-20(13-11-19)37(35,36)32-14-6-1-2-7-15-32/h3-5,8-13,16-17,24H,1-2,6-7,14-15H2,(H,30,34)
InChIKey DXIDQSMHCSTJHW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3366
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: 9315808; UBI_ID: UBI-003367
Temperature 313 °C