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4-(3,4-dichlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID Gir7rK89p6I
InChI InChI=1S/C21H17Cl2N3/c22-18-10-9-15(12-19(18)23)17-13-26-21-16(17)8-4-5-11-25(21)20(24-26)14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13H,4-5,8,11H2
InChIKey MDPPHDPBPOVYBK-UHFFFAOYSA-N
Mol Weight 382.29 g/mol
Molecular Formula C21H17Cl2N3
Exact Mass 381.079953 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FDfeQd5hQaI
Name 4-(3,4-dichlorophenyl)-1-phenyl-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/C21H17Cl2N3/c22-18-10-9-15(12-19(18)23)17-13-26-21-16(17)8-4-5-11-25(21)20(24-26)14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13H,4-5,8,11H2
InChIKey MDPPHDPBPOVYBK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5473
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/11221636; Labnumber: 0583; IOH_ID: IOH-005474