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6-Amino-8-(4-methylphenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
SpectraBase Compound ID 8d3iIOpLsu8
InChI InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3
InChIKey WGMBQYIBNHRLRP-UHFFFAOYSA-N
Mol Weight 332.43 g/mol
Molecular Formula C19H16N4S
Exact Mass 332.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14UCF0Kayqp
Name 6-Amino-8-(p-tolyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4S
InChI InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3
InChIKey WGMBQYIBNHRLRP-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.02.023
Molecular Weight 332.425 g/mol
SMILES NC1=C(C2=CCSCC2C(C1(C#N)C#N)c1ccc(cc1)C)C#N
SPLASH splash10-001i-0938000000-bf81e72fc6b3d8140cdb
Source of Spectrum F-72-1703-6g
Wiley ID 1805890