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6-Amino-8-(4-bromophenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
SpectraBase Compound ID 1NlcQ7Mvtx
InChI InChI=1S/C18H13BrN4S/c19-12-3-1-11(2-4-12)16-15-8-24-6-5-13(15)14(7-20)17(23)18(16,9-21)10-22/h1-5,15-16H,6,8,23H2
InChIKey ILHARBNPOBLAPB-UHFFFAOYSA-N
Mol Weight 397.29 g/mol
Molecular Formula C18H13BrN4S
Exact Mass 396.004431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkKcWcUxUCm
Name 6-Amino-8-(4-bromophenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrN4S
InChI InChI=1S/C18H13BrN4S/c19-12-3-1-11(2-4-12)16-15-8-24-6-5-13(15)14(7-20)17(23)18(16,9-21)10-22/h1-5,15-16H,6,8,23H2
InChIKey ILHARBNPOBLAPB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.02.023
Molecular Weight 397.294 g/mol
SMILES NC1=C(C2=CCSCC2C(C1(C#N)C#N)c1ccc(cc1)Br)C#N
SPLASH splash10-014i-9044000000-037aed3ff3973fd49397
Source of Spectrum F-72-1703-6h
Wiley ID 1805891