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1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile, 6-amino-8,8a-dihydro-8-(3-pyridinyl)-
SpectraBase Compound ID 3GEL3tBjNvg
InChI InChI=1S/C17H13N5S/c18-6-13-12-3-5-23-8-14(12)15(11-2-1-4-22-7-11)17(9-19,10-20)16(13)21/h1-4,7,14-15H,5,8,21H2
InChIKey ASBDKQZMUHPGDY-UHFFFAOYSA-N
Mol Weight 319.39 g/mol
Molecular Formula C17H13N5S
Exact Mass 319.089167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 84PypdLquWP
Name 1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile, 6-amino-8,8a-dihydro-8-(3-pyridinyl)-
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/C17H13N5S/c18-6-13-12-3-5-23-8-14(12)15(11-2-1-4-22-7-11)17(9-19,10-20)16(13)21/h1-4,7,14-15H,5,8,21H2
InChIKey ASBDKQZMUHPGDY-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1825
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/9231181; Labnumber: L-25,Kalugin
Temperature 297 °C