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4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-

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4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-
SpectraBase Compound ID Erop0x0hpWc
InChI InChI=1S/C16H14N4O4S/c1-21-12-7(3-10-13(14(12)22-2)24-6-23-10)11-8(4-17)15(19)25-16(20)9(11)5-18/h3,11H,6,19-20H2,1-2H3
InChIKey SKFLQPGMCUBZLK-UHFFFAOYSA-N
Mol Weight 358.37 g/mol
Molecular Formula C16H14N4O4S
Exact Mass 358.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JSrLRAH44A
Name 4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-
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/C16H14N4O4S/c1-21-12-7(3-10-13(14(12)22-2)24-6-23-10)11-8(4-17)15(19)25-16(20)9(11)5-18/h3,11H,6,19-20H2,1-2H3
InChIKey SKFLQPGMCUBZLK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5337
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/17311575; Labnumber: TSH-801/0046