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1-(4-chlorophenyl)-N,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
SpectraBase Compound ID L6t62YOos8z
InChI InChI=1S/C31H28ClN3O2S/c1-36-24-14-8-20(9-15-24)27-19-35-29(30(38)33-23-12-16-25(37-2)17-13-23)28(21-6-10-22(32)11-7-21)26-5-3-4-18-34(27)31(26)35/h6-17,19H,3-5,18H2,1-2H3,(H,33,38)
InChIKey WNDGKVOQHNGTAK-UHFFFAOYSA-N
Mol Weight 542.1 g/mol
Molecular Formula C31H28ClN3O2S
Exact Mass 541.159076 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hb8VatMLEqN
Name 1-(4-chlorophenyl)-N,4-bis(4-methoxyphenyl)-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/C31H28ClN3O2S/c1-36-24-14-8-20(9-15-24)27-19-35-29(30(38)33-23-12-16-25(37-2)17-13-23)28(21-6-10-22(32)11-7-21)26-5-3-4-18-34(27)31(26)35/h6-17,19H,3-5,18H2,1-2H3,(H,33,38)
InChIKey WNDGKVOQHNGTAK-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_364
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: C29320; Labnumber: DEMTC-210; SBI_ID: SBI-000366
Temperature 308 °C