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14-(4-chlorophenyl)-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione

View entire compound with spectra: 1 NMR

14-(4-chlorophenyl)-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione
SpectraBase Compound ID 7oLel7hLE3f
InChI InChI=1S/C25H19ClN2O3S2/c26-12-6-8-13(9-7-12)28-23(29)18-14-10-15(19(18)24(28)30)20-17(14)16(11-4-2-1-3-5-11)21-22(32-20)27-25(31)33-21/h1-9,14-20H,10H2,(H,27,31)
InChIKey CXWVTULAIIYZCI-UHFFFAOYSA-N
Mol Weight 495.01 g/mol
Molecular Formula C25H19ClN2O3S2
Exact Mass 494.052563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BohJm7MYUqu
Name 14-(4-chlorophenyl)-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0~2,10~.0~4,8~.0~12,16~]heptadec-4(8)-ene-6,13,15-trione
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/C25H19ClN2O3S2/c26-12-6-8-13(9-7-12)28-23(29)18-14-10-15(19(18)24(28)30)20-17(14)16(11-4-2-1-3-5-11)21-22(32-20)27-25(31)33-21/h1-9,14-20H,10H2,(H,27,31)
InChIKey CXWVTULAIIYZCI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13259
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: D85010; Labnumber: ULES1-1730; SBI_ID: SBI-013262
Temperature 318 °C