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3-[(4-benzhydryl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 4niKnH0xejA
InChI InChI=1S/C31H25BrF3N5O/c32-24-13-11-21(12-14-24)26-19-27(31(33,34)35)40-29(37-26)25(20-36-40)30(41)39-17-15-38(16-18-39)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19-20,28H,15-18H2
InChIKey BMXTXWIAZYUIGB-UHFFFAOYSA-N
Mol Weight 620.47 g/mol
Molecular Formula C31H25BrF3N5O
Exact Mass 619.119458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHq1VA2Y7M1
Name 3-[(4-benzhydryl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-7-(trifluoromethyl)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/C31H25BrF3N5O/c32-24-13-11-21(12-14-24)26-19-27(31(33,34)35)40-29(37-26)25(20-36-40)30(41)39-17-15-38(16-18-39)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19-20,28H,15-18H2
InChIKey BMXTXWIAZYUIGB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9630
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/8050094; Labnumber: IDV-4951; UZI_ID: UZI-009632
Temperature 305 °C