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1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-2-methylpiperidine
SpectraBase Compound ID B6b8kUjBkE3
InChI InChI=1S/C17H19BrN4O3/c1-12-5-2-3-8-21(12)17(23)14-7-4-6-13(9-14)10-20-11-15(18)16(19-20)22(24)25/h4,6-7,9,11-12H,2-3,5,8,10H2,1H3
InChIKey ZBXYWUNJIJQLEP-UHFFFAOYSA-N
Mol Weight 407.27 g/mol
Molecular Formula C17H19BrN4O3
Exact Mass 406.064053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jdi6o7YXgig
Name 1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-2-methylpiperidine
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/C17H19BrN4O3/c1-12-5-2-3-8-21(12)17(23)14-7-4-6-13(9-14)10-20-11-15(18)16(19-20)22(24)25/h4,6-7,9,11-12H,2-3,5,8,10H2,1H3
InChIKey ZBXYWUNJIJQLEP-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4319
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/8117239; UBI_ID: UBI-004320
Temperature 313 °C