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N-(2,5-dimethylphenyl)-1-(phenoxymethyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

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N-(2,5-dimethylphenyl)-1-(phenoxymethyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
SpectraBase Compound ID Ib33HzWVGmA
InChI InChI=1S/C31H30N4OS/c1-21-16-17-22(2)26(19-21)32-30(37)29-28(23-11-5-3-6-12-23)25-15-9-10-18-34-27(33-35(29)31(25)34)20-36-24-13-7-4-8-14-24/h3-8,11-14,16-17,19H,9-10,15,18,20H2,1-2H3,(H,32,37)
InChIKey SSUNZXGALQDLAM-UHFFFAOYSA-N
Mol Weight 506.67 g/mol
Molecular Formula C31H30N4OS
Exact Mass 506.214033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7migBU6Kvtv
Name N-(2,5-dimethylphenyl)-1-(phenoxymethyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-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/C31H30N4OS/c1-21-16-17-22(2)26(19-21)32-30(37)29-28(23-11-5-3-6-12-23)25-15-9-10-18-34-27(33-35(29)31(25)34)20-36-24-13-7-4-8-14-24/h3-8,11-14,16-17,19H,9-10,15,18,20H2,1-2H3,(H,32,37)
InChIKey SSUNZXGALQDLAM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5701
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/11221818; Labnumber: 0783; IOH_ID: IOH-005702