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7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID E3N3W1XaE3e
InChI InChI=1S/C21H22F2N4O/c1-14-6-8-15(9-7-14)17-12-18(19(22)23)27-20(25-17)16(13-24-27)21(28)26-10-4-2-3-5-11-26/h6-9,12-13,19H,2-5,10-11H2,1H3
InChIKey AZKDQWOTDJJVBM-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C21H22F2N4O
Exact Mass 384.176168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85GkVn2dwDN
Name 7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(4-methylphenyl)pyrazolo[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/C21H22F2N4O/c1-14-6-8-15(9-7-14)17-12-18(19(22)23)27-20(25-17)16(13-24-27)21(28)26-10-4-2-3-5-11-26/h6-9,12-13,19H,2-5,10-11H2,1H3
InChIKey AZKDQWOTDJJVBM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3733
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: 9314296; UBI_ID: UBI-003734
Temperature 313 °C