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4-(4-bromophenyl)-N-(4-ethylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
SpectraBase Compound ID 8WgeLWutocR
InChI InChI=1S/C30H27BrN4S/c1-2-20-11-17-24(18-12-20)32-29(36)27-26(21-13-15-23(31)16-14-21)25-10-6-7-19-34-28(33-35(27)30(25)34)22-8-4-3-5-9-22/h3-5,8-9,11-18H,2,6-7,10,19H2,1H3,(H,32,36)
InChIKey GPOKWUVDSKZLQO-UHFFFAOYSA-N
Mol Weight 555.54 g/mol
Molecular Formula C30H27BrN4S
Exact Mass 554.113981 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9qjI11HZhjj
Name 4-(4-bromophenyl)-N-(4-ethylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
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/C30H27BrN4S/c1-2-20-11-17-24(18-12-20)32-29(36)27-26(21-13-15-23(31)16-14-21)25-10-6-7-19-34-28(33-35(27)30(25)34)22-8-4-3-5-9-22/h3-5,8-9,11-18H,2,6-7,10,19H2,1H3,(H,32,36)
InChIKey GPOKWUVDSKZLQO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5580
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/11221854; Labnumber: 0821; IOH_ID: IOH-005581