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2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID Gif0ZRhBOVW
InChI InChI=1S/C16H16N4O3S/c1-21-11-4-8(5-12(22-2)14(11)23-3)13-9(6-17)15(19)24-16(20)10(13)7-18/h4-5,13H,19-20H2,1-3H3
InChIKey BLTYMNUOXQGXAI-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bad6QxHyQMq
Name 2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
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/C16H16N4O3S/c1-21-11-4-8(5-12(22-2)14(11)23-3)13-9(6-17)15(19)24-16(20)10(13)7-18/h4-5,13H,19-20H2,1-3H3
InChIKey BLTYMNUOXQGXAI-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3640
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: ZI/7132851; Labnumber: X; IOH_ID: IOH-003641
Temperature 297 °C