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3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID GsuPRKT42aE
InChI InChI=1S/C29H33F2N5O2/c1-38-22-4-2-19(3-5-22)24-15-25(27(30)31)36-28(33-24)23(16-32-36)29(37)35-8-6-34(7-9-35)26-20-11-17-10-18(13-20)14-21(26)12-17/h2-5,15-18,20-21,26-27H,6-14H2,1H3/t17-,18+,20-,21+,26?
InChIKey NBFXLNKWDSGANU-GLJKLTJVSA-N
Mol Weight 521.6 g/mol
Molecular Formula C29H33F2N5O2
Exact Mass 521.260232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 73wRXaXhZKV
Name 3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-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/C29H33F2N5O2/c1-38-22-4-2-19(3-5-22)24-15-25(27(30)31)36-28(33-24)23(16-32-36)29(37)35-8-6-34(7-9-35)26-20-11-17-10-18(13-20)14-21(26)12-17/h2-5,15-18,20-21,26-27H,6-14H2,1H3/t17-,18+,20-,21+,26?
InChIKey NBFXLNKWDSGANU-GLJKLTJVSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20943
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/9319434; UBI_ID: UBI-020947
Synonyms 4-[3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
Temperature 313 °C