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piperazinium, 1-[[5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]-4-(phenylmethyl)-, chloride
SpectraBase Compound ID K84MbvIAOfN
InChI InChI=1S/C22H25BrN4O2.ClH/c1-16-21(23)17(2)27(24-16)15-19-8-9-20(29-19)22(28)26-12-10-25(11-13-26)14-18-6-4-3-5-7-18;/h3-9H,10-15H2,1-2H3;1H
InChIKey NXWSBDXIVDRFAO-UHFFFAOYSA-N
Mol Weight 493.83 g/mol
Molecular Formula C22H26BrClN4O2
Exact Mass 492.092767 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8BC8YUJ1Ui4
Name piperazinium, 1-[[5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]-4-(phenylmethyl)-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.092766791 u
Formula C22H26BrClN4O2
InChI InChI=1S/C22H25BrN4O2.ClH/c1-16-21(23)17(2)27(24-16)15-19-8-9-20(29-19)22(28)26-12-10-25(11-13-26)14-18-6-4-3-5-7-18;/h3-9H,10-15H2,1-2H3;1H
InChIKey NXWSBDXIVDRFAO-UHFFFAOYSA-N
Molecular Weight 493.833 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1284
Solvent DMSO-d6
Source Vendor ID: NMR/13239995