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1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile, 6-amino-8-(3-chlorophenyl)-8,8a-dihydro-, (8R,8aS)-
SpectraBase Compound ID 6DEpzyEUiP8
InChI InChI=1S/C18H13ClN4S/c19-12-3-1-2-11(6-12)16-15-8-24-5-4-13(15)14(7-20)17(23)18(16,9-21)10-22/h1-4,6,15-16H,5,8,23H2
InChIKey CLQTZIDOTRRAKP-UHFFFAOYSA-N
Mol Weight 352.84 g/mol
Molecular Formula C18H13ClN4S
Exact Mass 352.054945 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GQQeQVJd5Lg
Name 1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile, 6-amino-8-(3-chlorophenyl)-8,8a-dihydro-, (8R,8aS)-
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/C18H13ClN4S/c19-12-3-1-2-11(6-12)16-15-8-24-5-4-13(15)14(7-20)17(23)18(16,9-21)10-22/h1-4,6,15-16H,5,8,23H2
InChIKey CLQTZIDOTRRAKP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4012
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: 63TSH6.025; IOH_ID: IOH-011015