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6-Amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
SpectraBase Compound ID JaxGAhiR13o
InChI InChI=1S/C16H12N4S2/c17-6-11-10-3-5-21-7-12(10)14(13-2-1-4-22-13)16(8-18,9-19)15(11)20/h1-4,12,14H,5,7,20H2
InChIKey CCKWFVSTTBMJRJ-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C16H12N4S2
Exact Mass 324.050339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ac7Otonakqs
Name 6-Amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4S2
InChI InChI=1S/C16H12N4S2/c17-6-11-10-3-5-21-7-12(10)14(13-2-1-4-22-13)16(8-18,9-19)15(11)20/h1-4,12,14H,5,7,20H2
InChIKey CCKWFVSTTBMJRJ-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.02.023
Molecular Weight 324.420 g/mol
SMILES NC1=C(C2=CCSCC2C(C1(C#N)C#N)c1cccs1)C#N
SPLASH splash10-00dj-6349000000-2dac9417bb3111c1c729
Source of Spectrum F-72-1703-6j
Wiley ID 1805893