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6-Amino-8-(4-methoxyphenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
SpectraBase Compound ID HJyj4Mzqt6D
InChI InChI=1S/C19H16N4OS/c1-24-13-4-2-12(3-5-13)17-16-9-25-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3
InChIKey VLGSDIRAROUSRY-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C19H16N4OS
Exact Mass 348.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JAqzSh58q
Name 6-Amino-8-(4-methoxyphenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4OS
InChI InChI=1S/C19H16N4OS/c1-24-13-4-2-12(3-5-13)17-16-9-25-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3
InChIKey VLGSDIRAROUSRY-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.02.023
Molecular Weight 348.424 g/mol
SMILES NC1=C(C2=CCSCC2C(C1(C#N)C#N)c1ccc(cc1)OC)C#N
SPLASH splash10-0i00-0903000000-6521303268ba6432d70b
Source of Spectrum F-72-1703-6b
Wiley ID 1805886