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1-[3-(4-(4-chlorophenyl)-1-oxo-2(1H)-phthalazinyl)propanoyl]-4-methylpiperazin-4-ium bromide
SpectraBase Compound ID VEoDrwybH5
InChI InChI=1S/C22H23ClN4O2.BrH/c1-25-12-14-26(15-13-25)20(28)10-11-27-22(29)19-5-3-2-4-18(19)21(24-27)16-6-8-17(23)9-7-16;/h2-9H,10-15H2,1H3;1H
InChIKey BPDIDFDWJDUUDF-UHFFFAOYSA-N
Mol Weight 491.82 g/mol
Molecular Formula C22H24BrClN4O2
Exact Mass 490.077117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JTbxOaA14tX
Name 1-[3-(4-(4-chlorophenyl)-1-oxo-2(1H)-phthalazinyl)propanoyl]-4-methylpiperazin-4-ium bromide
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/C22H23ClN4O2.BrH/c1-25-12-14-26(15-13-25)20(28)10-11-27-22(29)19-5-3-2-4-18(19)21(24-27)16-6-8-17(23)9-7-16;/h2-9H,10-15H2,1H3;1H
InChIKey BPDIDFDWJDUUDF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1875
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: D00232; Labnumber: RRAZ1-3195; SBI_ID: SBI-001877
Temperature 318 °C