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1-(4-bromophenyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID 4MbUpDYagWy
InChI InChI=1S/C21H17BrClN3/c22-16-8-4-15(5-9-16)20-24-26-13-19(14-6-10-17(23)11-7-14)18-3-1-2-12-25(20)21(18)26/h4-11,13H,1-3,12H2
InChIKey JYERCTGUXNQRJM-UHFFFAOYSA-N
Mol Weight 426.75 g/mol
Molecular Formula C21H17BrClN3
Exact Mass 425.029438 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Av1V0lpDnlU
Name 1-(4-bromophenyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
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/C21H17BrClN3/c22-16-8-4-15(5-9-16)20-24-26-13-19(14-6-10-17(23)11-7-14)18-3-1-2-12-25(20)21(18)26/h4-11,13H,1-3,12H2
InChIKey JYERCTGUXNQRJM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5471
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: NMR/11221632; Labnumber: 0579; IOH_ID: IOH-005472