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3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 7GxaAiYzebt
InChI InChI=1S/C29H33F2N5O/c1-17-2-4-20(5-3-17)24-15-25(27(30)31)36-28(33-24)23(16-32-36)29(37)35-8-6-34(7-9-35)26-21-11-18-10-19(13-21)14-22(26)12-18/h2-5,15-16,18-19,21-22,26-27H,6-14H2,1H3/t18-,19+,21-,22+,26?
InChIKey DZKZQCXTHORCFT-GJKWGCOLSA-N
Mol Weight 505.6 g/mol
Molecular Formula C29H33F2N5O
Exact Mass 505.265317 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19v9dIo8zO4
Name 3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-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/C29H33F2N5O/c1-17-2-4-20(5-3-17)24-15-25(27(30)31)36-28(33-24)23(16-32-36)29(37)35-8-6-34(7-9-35)26-21-11-18-10-19(13-21)14-22(26)12-18/h2-5,15-16,18-19,21-22,26-27H,6-14H2,1H3/t18-,19+,21-,22+,26?
InChIKey DZKZQCXTHORCFT-GJKWGCOLSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4564
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: 9680494; UBI_ID: UBI-004565
Temperature 353 °C