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

View entire compound with spectra: 1 NMR

2-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID DgySf1Mc4uq
InChI InChI=1S/C28H32BrClF3N5O/c29-20-3-1-17(2-4-20)21-14-22(28(31,32)33)38-26(34-21)23(30)24(35-38)27(39)37-7-5-36(6-8-37)25-18-10-15-9-16(12-18)13-19(25)11-15/h1-4,15-16,18-19,21-22,25,34H,5-14H2/t15-,16+,18-,19+,21?,22?,25?
InChIKey KYUJTKGEFRXZCC-XQJAYXNLSA-N
Mol Weight 627.0 g/mol
Molecular Formula C28H32BrClF3N5O
Exact Mass 625.143086 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwR56ab4a1x
Name 2-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(4-bromophenyl)-3-chloro-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/C28H32BrClF3N5O/c29-20-3-1-17(2-4-20)21-14-22(28(31,32)33)38-26(34-21)23(30)24(35-38)27(39)37-7-5-36(6-8-37)25-18-10-15-9-16(12-18)13-19(25)11-15/h1-4,15-16,18-19,21-22,25,34H,5-14H2/t15-,16+,18-,19+,21?,22?,25?
InChIKey KYUJTKGEFRXZCC-XQJAYXNLSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4556
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: 9678124; UBI_ID: UBI-004557
Temperature 313 °C