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7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID BXUNCcuc0m6
InChI InChI=1S/C21H22F2N4O2/c1-29-15-8-6-14(7-9-15)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 FHQNEPMNIYSLCU-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C21H22F2N4O2
Exact Mass 400.171082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7mXm1MtDzKo
Name 7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(4-methoxyphenyl)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/C21H22F2N4O2/c1-29-15-8-6-14(7-9-15)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 FHQNEPMNIYSLCU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13892
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/9318070; UBI_ID: UBI-013895
Synonyms 4-[7-(difluoromethyl)-3-(hexahydro-1H-azepin-1-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
Temperature 308 °C