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4-(4-chlorophenyl)-2-{2-nitro-5-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}-1(2H)-phthalazinone
SpectraBase Compound ID 9QNvaZ8QF5w
InChI InChI=1S/C29H22ClN5O4S/c30-20-9-7-19(8-10-20)27-22-4-1-2-5-23(22)28(36)34(31-27)25-18-21(11-12-24(25)35(38)39)32-13-15-33(16-14-32)29(37)26-6-3-17-40-26/h1-12,17-18H,13-16H2
InChIKey HFQDLLKCMXADCA-UHFFFAOYSA-N
Mol Weight 572.04 g/mol
Molecular Formula C29H22ClN5O4S
Exact Mass 571.108103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JV8TL0S1umX
Name 4-(4-chlorophenyl)-2-{2-nitro-5-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}-1(2H)-phthalazinone
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/C29H22ClN5O4S/c30-20-9-7-19(8-10-20)27-22-4-1-2-5-23(22)28(36)34(31-27)25-18-21(11-12-24(25)35(38)39)32-13-15-33(16-14-32)29(37)26-6-3-17-40-26/h1-12,17-18H,13-16H2
InChIKey HFQDLLKCMXADCA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5514
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: D22904; Labnumber: SPKUZ-2189; SBI_ID: SBI-005516
Temperature 318 °C