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7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID LjTiETtlgdw
InChI InChI=1S/C20H20F2N4O/c21-18(22)17-12-16(14-8-4-3-5-9-14)24-19-15(13-23-26(17)19)20(27)25-10-6-1-2-7-11-25/h3-5,8-9,12-13,18H,1-2,6-7,10-11H2
InChIKey WHFSDGUBUCEVTA-UHFFFAOYSA-N
Mol Weight 370.4 g/mol
Molecular Formula C20H20F2N4O
Exact Mass 370.160518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K7ciL8oyZbZ
Name 7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)-5-phenylpyrazolo[1,5-a]pyrimidine
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/C20H20F2N4O/c21-18(22)17-12-16(14-8-4-3-5-9-14)24-19-15(13-23-26(17)19)20(27)25-10-6-1-2-7-11-25/h3-5,8-9,12-13,18H,1-2,6-7,10-11H2
InChIKey WHFSDGUBUCEVTA-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2054
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: 9313026; UBI_ID: UBI-002055
Temperature 313 °C