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4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-sec-butylphenyl)benzamide
SpectraBase Compound ID CQ84TxVUebd
InChI InChI=1S/C21H22BrN3O/c1-3-15(2)19-6-4-5-7-20(19)24-21(26)17-10-8-16(9-11-17)13-25-14-18(22)12-23-25/h4-12,14-15H,3,13H2,1-2H3,(H,24,26)
InChIKey BHERYHGBRWSOOB-UHFFFAOYSA-N
Mol Weight 412.33 g/mol
Molecular Formula C21H22BrN3O
Exact Mass 411.094625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4gURmKMNPrR
Name 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-sec-butylphenyl)benzamide
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/C21H22BrN3O/c1-3-15(2)19-6-4-5-7-20(19)24-21(26)17-10-8-16(9-11-17)13-25-14-18(22)12-23-25/h4-12,14-15H,3,13H2,1-2H3,(H,24,26)
InChIKey BHERYHGBRWSOOB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3340
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/9154561; Labnumber: BAC_UAMK/007920; UZI_ID: UZI-003342
Temperature 313 °C