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2H-azepin-2-one, 1-benzoyl-3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]hexahydro-
SpectraBase Compound ID mZLy1KlmdN
InChI InChI=1S/C25H20ClN3O2S2/c26-18-11-9-16(10-12-18)19-14-32-22-21(19)23(28-15-27-22)33-20-8-4-5-13-29(25(20)31)24(30)17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,20H,4-5,8,13H2
InChIKey ABHYDWCVUDOEFL-UHFFFAOYSA-N
Mol Weight 494.03 g/mol
Molecular Formula C25H20ClN3O2S2
Exact Mass 493.068547 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GhWjBFkp7Y
Name 2H-azepin-2-one, 1-benzoyl-3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]hexahydro-
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/C25H20ClN3O2S2/c26-18-11-9-16(10-12-18)19-14-32-22-21(19)23(28-15-27-22)33-20-8-4-5-13-29(25(20)31)24(30)17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,20H,4-5,8,13H2
InChIKey ABHYDWCVUDOEFL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_915
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/11228619