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2-chloro-3-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1-piperazinyl}naphthoquinone
SpectraBase Compound ID 7Rewkiu5HJK
InChI InChI=1S/C25H22ClN5O4/c1-15-13-16(2)30(27-15)21-14-17(7-8-20(21)31(34)35)28-9-11-29(12-10-28)23-22(26)24(32)18-5-3-4-6-19(18)25(23)33/h3-8,13-14H,9-12H2,1-2H3
InChIKey FMYUUMLZWNYLSD-UHFFFAOYSA-N
Mol Weight 491.94 g/mol
Molecular Formula C25H22ClN5O4
Exact Mass 491.136032 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EOe7GrTAke
Name 2-chloro-3-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1-piperazinyl}naphthoquinone
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/C25H22ClN5O4/c1-15-13-16(2)30(27-15)21-14-17(7-8-20(21)31(34)35)28-9-11-29(12-10-28)23-22(26)24(32)18-5-3-4-6-19(18)25(23)33/h3-8,13-14H,9-12H2,1-2H3
InChIKey FMYUUMLZWNYLSD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3687
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: D91711; Labnumber: SPKUZ-2351; SBI_ID: SBI-003689
Temperature 303 °C