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2-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione

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2-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 57XAUAwIcX1
InChI InChI=1S/C18H10BrClN4O4/c19-13-9-22(8-10-4-6-11(20)7-5-10)21-16(13)23-17(25)12-2-1-3-14(24(27)28)15(12)18(23)26/h1-7,9H,8H2
InChIKey PTZYOUAIWXNIQE-UHFFFAOYSA-N
Mol Weight 461.66 g/mol
Molecular Formula C18H10BrClN4O4
Exact Mass 459.957396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HL7TkElQTlA
Name 2-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
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/C18H10BrClN4O4/c19-13-9-22(8-10-4-6-11(20)7-5-10)21-16(13)23-17(25)12-2-1-3-14(24(27)28)15(12)18(23)26/h1-7,9H,8H2
InChIKey PTZYOUAIWXNIQE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32834
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: 1911625; SBI_ID: SBI-032838
Temperature 318 °C