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1-benzyl-4-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}piperazin-1-ium
SpectraBase Compound ID JZzuAlHYakj
InChI InChI=1S/C20H21ClN4O2/c21-17-12-22-25(14-17)15-18-6-7-19(27-18)20(26)24-10-8-23(9-11-24)13-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2/p+1
InChIKey LHMLTEFKBRBKKS-UHFFFAOYSA-O
Mol Weight 385.88 g/mol
Molecular Formula C20H22ClN4O2
Exact Mass 385.143129 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ajlhxw6NyI
Name 1-benzyl-4-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}piperazin-1-ium
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/C20H21ClN4O2/c21-17-12-22-25(14-17)15-18-6-7-19(27-18)20(26)24-10-8-23(9-11-24)13-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2/p+1
InChIKey LHMLTEFKBRBKKS-UHFFFAOYSA-O
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5785
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/8173878; UBI_ID: UBI-005787
Temperature 308 °C