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1-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-methylpiperazin-4-ium
SpectraBase Compound ID 5y01VK6SrI3
InChI InChI=1S/C14H17ClN4O2/c1-17-4-6-18(7-5-17)14(20)13-3-2-12(21-13)10-19-9-11(15)8-16-19/h2-3,8-9H,4-7,10H2,1H3/p+1
InChIKey RHHLREHCUXPHCJ-UHFFFAOYSA-O
Mol Weight 309.78 g/mol
Molecular Formula C14H18ClN4O2
Exact Mass 309.111829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85PIzAmLl17
Name 1-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-methylpiperazin-4-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/C14H17ClN4O2/c1-17-4-6-18(7-5-17)14(20)13-3-2-12(21-13)10-19-9-11(15)8-16-19/h2-3,8-9H,4-7,10H2,1H3/p+1
InChIKey RHHLREHCUXPHCJ-UHFFFAOYSA-O
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16582
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/8143418; UBI_ID: UBI-016585
Temperature 308 °C