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

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4-(3,4-dichlorophenyl)-1-(phenoxymethyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
SpectraBase Compound ID CJwZzZ3TQTw
InChI InChI=1S/C29H24Cl2N4OS/c30-23-15-14-19(17-24(23)31)26-22-13-7-8-16-34-25(18-36-21-11-5-2-6-12-21)33-35(29(22)34)27(26)28(37)32-20-9-3-1-4-10-20/h1-6,9-12,14-15,17H,7-8,13,16,18H2,(H,32,37)
InChIKey RICSKXHOMVKSAI-UHFFFAOYSA-N
Mol Weight 547.5 g/mol
Molecular Formula C29H24Cl2N4OS
Exact Mass 546.104788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3RXgki2xvzP
Name 4-(3,4-dichlorophenyl)-1-(phenoxymethyl)-N-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/C29H24Cl2N4OS/c30-23-15-14-19(17-24(23)31)26-22-13-7-8-16-34-25(18-36-21-11-5-2-6-12-21)33-35(29(22)34)27(26)28(37)32-20-9-3-1-4-10-20/h1-6,9-12,14-15,17H,7-8,13,16,18H2,(H,32,37)
InChIKey RICSKXHOMVKSAI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5704
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/11221822; Labnumber: 0787; IOH_ID: IOH-005705