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3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

View entire compound with spectra: 1 NMR

3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID C3AXFVF8o1H
InChI InChI=1S/C28H33BrF3N5O/c29-21-3-1-18(2-4-21)23-14-24(28(30,31)32)37-26(34-23)22(15-33-37)27(38)36-7-5-35(6-8-36)25-19-10-16-9-17(12-19)13-20(25)11-16/h1-4,15-17,19-20,23-25,34H,5-14H2/t16-,17+,19-,20+,23?,24?,25?
InChIKey JCQSMTFYJDMEHO-FZQMYZGLSA-N
Mol Weight 592.5 g/mol
Molecular Formula C28H33BrF3N5O
Exact Mass 591.182058 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID z1QMpvpNmn
Name 3-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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/C28H33BrF3N5O/c29-21-3-1-18(2-4-21)23-14-24(28(30,31)32)37-26(34-23)22(15-33-37)27(38)36-7-5-35(6-8-36)25-19-10-16-9-17(12-19)13-20(25)11-16/h1-4,15-17,19-20,23-25,34H,5-14H2/t16-,17+,19-,20+,23?,24?,25?
InChIKey JCQSMTFYJDMEHO-FZQMYZGLSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18042
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/9099273; UBI_ID: UBI-018045
Temperature 308 °C