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1-(3-bromobenzyl)-4-({5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolyl}carbonyl)piperazine
SpectraBase Compound ID 24uykHk0Ers
InChI InChI=1S/C20H21BrN6O4/c1-14-18(13-26-12-17(10-22-26)27(29)30)19(23-31-14)20(28)25-7-5-24(6-8-25)11-15-3-2-4-16(21)9-15/h2-4,9-10,12H,5-8,11,13H2,1H3
InChIKey JWTMWHWRDUHUIA-UHFFFAOYSA-N
Mol Weight 489.33 g/mol
Molecular Formula C20H21BrN6O4
Exact Mass 488.080766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DccANuGj33i
Name 1-(3-bromobenzyl)-4-({5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolyl}carbonyl)piperazine
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/C20H21BrN6O4/c1-14-18(13-26-12-17(10-22-26)27(29)30)19(23-31-14)20(28)25-7-5-24(6-8-25)11-15-3-2-4-16(21)9-15/h2-4,9-10,12H,5-8,11,13H2,1H3
InChIKey JWTMWHWRDUHUIA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32987
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: 1911859; SBI_ID: SBI-032991
Temperature 308 °C