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1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-4-(2-furoyl)piperazine
SpectraBase Compound ID H2yqkpF0EQe
InChI InChI=1S/C20H18BrN5O5/c21-16-13-25(22-18(16)26(29)30)12-14-3-1-4-15(11-14)19(27)23-6-8-24(9-7-23)20(28)17-5-2-10-31-17/h1-5,10-11,13H,6-9,12H2
InChIKey MJPHECXNRHMRJL-UHFFFAOYSA-N
Mol Weight 488.3 g/mol
Molecular Formula C20H18BrN5O5
Exact Mass 487.049132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5gmkf8pwQZj
Name 1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-4-(2-furoyl)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/C20H18BrN5O5/c21-16-13-25(22-18(16)26(29)30)12-14-3-1-4-15(11-14)19(27)23-6-8-24(9-7-23)20(28)17-5-2-10-31-17/h1-5,10-11,13H,6-9,12H2
InChIKey MJPHECXNRHMRJL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19098
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: UZI/9135510; UBI_ID: UBI-019101
Temperature 308 °C