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3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide
SpectraBase Compound ID Ed5qShIeSCg
InChI InChI=1S/C19H23BrN4O3/c20-17-13-23(22-18(17)24(26)27)12-14-7-6-8-15(11-14)19(25)21-16-9-4-2-1-3-5-10-16/h6-8,11,13,16H,1-5,9-10,12H2,(H,21,25)
InChIKey IFOCLCBPJGWYQF-UHFFFAOYSA-N
Mol Weight 435.32 g/mol
Molecular Formula C19H23BrN4O3
Exact Mass 434.095354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DWAwXf0sPr3
Name 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide
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/C19H23BrN4O3/c20-17-13-23(22-18(17)24(26)27)12-14-7-6-8-15(11-14)19(25)21-16-9-4-2-1-3-5-10-16/h6-8,11,13,16H,1-5,9-10,12H2,(H,21,25)
InChIKey IFOCLCBPJGWYQF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19919
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/9153502; UBI_ID: UBI-019923
Temperature 308 °C