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3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cycloheptylbenzamide
SpectraBase Compound ID BDrPvIv5oP6
InChI InChI=1S/C18H21BrN4O3/c19-16-12-22(21-17(16)23(25)26)11-13-6-5-7-14(10-13)18(24)20-15-8-3-1-2-4-9-15/h5-7,10,12,15H,1-4,8-9,11H2,(H,20,24)
InChIKey IPCVMLIQCZWVMV-UHFFFAOYSA-N
Mol Weight 421.3 g/mol
Molecular Formula C18H21BrN4O3
Exact Mass 420.079704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3mGF6RXQVpj
Name 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cycloheptylbenzamide
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/C18H21BrN4O3/c19-16-12-22(21-17(16)23(25)26)11-13-6-5-7-14(10-13)18(24)20-15-8-3-1-2-4-9-15/h5-7,10,12,15H,1-4,8-9,11H2,(H,20,24)
InChIKey IPCVMLIQCZWVMV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19343
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/9140382; UBI_ID: UBI-019347
Temperature 318 °C