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7-{[(E)-(4-chlorophenyl)methylidene]amino}-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(7H)-one
SpectraBase Compound ID EKIWoLZDMPI
InChI InChI=1S/C27H16ClN5OS/c28-20-13-11-17(12-14-20)15-30-33-16-29-24-22-21(18-7-3-1-4-8-18)23(19-9-5-2-6-10-19)31-32-26(22)35-25(24)27(33)34/h1-16H/b30-15+
InChIKey KSHWPTBCLIAHOJ-FJEPWZHXSA-N
Mol Weight 493.97 g/mol
Molecular Formula C27H16ClN5OS
Exact Mass 493.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LJllOg0AE73
Name 7-{[(E)-(4-chlorophenyl)methylidene]amino}-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(7H)-one
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/C27H16ClN5OS/c28-20-13-11-17(12-14-20)15-30-33-16-29-24-22-21(18-7-3-1-4-8-18)23(19-9-5-2-6-10-19)31-32-26(22)35-25(24)27(33)34/h1-16H/b30-15+
InChIKey KSHWPTBCLIAHOJ-FJEPWZHXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13973
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: MAY-13/0030; UBI_ID: UBI-013976
Synonyms 7-{[(4-chlorophenyl)methylidene]amino}-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(7H)-one
Temperature 318 °C