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2-{4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID KSPprQPTM6c
InChI InChI=1S/C20H17BrN4O3/c21-18-13-24(22-19(18)25(27)28)11-14-5-7-16(8-6-14)20(26)23-10-9-15-3-1-2-4-17(15)12-23/h1-8,13H,9-12H2
InChIKey VSKLZJWZFBXJLZ-UHFFFAOYSA-N
Mol Weight 441.29 g/mol
Molecular Formula C20H17BrN4O3
Exact Mass 440.048403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAml1mwwRgb
Name 2-{4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
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/C20H17BrN4O3/c21-18-13-24(22-19(18)25(27)28)11-14-5-7-16(8-6-14)20(26)23-10-9-15-3-1-2-4-17(15)12-23/h1-8,13H,9-12H2
InChIKey VSKLZJWZFBXJLZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20075
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/9157511; UBI_ID: UBI-020079
Temperature 308 °C