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1-{4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID CguY2FgZ2NS
InChI InChI=1S/C20H17BrN4O3/c21-17-13-23(22-19(17)25(27)28)12-14-7-9-16(10-8-14)20(26)24-11-3-5-15-4-1-2-6-18(15)24/h1-2,4,6-10,13H,3,5,11-12H2
InChIKey QSEYULBELMJUAO-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 KLadPht7U18
Name 1-{4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroquinoline
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/c21-17-13-23(22-19(17)25(27)28)12-14-7-9-16(10-8-14)20(26)24-11-3-5-15-4-1-2-6-18(15)24/h1-2,4,6-10,13H,3,5,11-12H2
InChIKey QSEYULBELMJUAO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19922
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/9153567; UBI_ID: UBI-019926
Temperature 308 °C