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N-(4-bromophenyl)-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
SpectraBase Compound ID 9qkBDa6Ayb9
InChI InChI=1S/C29H23BrClN3S/c30-21-11-15-23(16-12-21)32-28(35)27-26(20-9-13-22(31)14-10-20)24-8-4-5-17-33-25(18-34(27)29(24)33)19-6-2-1-3-7-19/h1-3,6-7,9-16,18H,4-5,8,17H2,(H,32,35)
InChIKey FAERRGAAPVUHFT-UHFFFAOYSA-N
Mol Weight 560.94 g/mol
Molecular Formula C29H23BrClN3S
Exact Mass 559.04846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IrfZgRy7wbM
Name N-(4-bromophenyl)-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H23BrClN3S/c30-21-11-15-23(16-12-21)32-28(35)27-26(20-9-13-22(31)14-10-20)24-8-4-5-17-33-25(18-34(27)29(24)33)19-6-2-1-3-7-19/h1-3,6-7,9-16,18H,4-5,8,17H2,(H,32,35)
InChIKey FAERRGAAPVUHFT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5915
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: 121815; Labnumber: EX00112172; VK_ID: VK-005918
Temperature 318 °C