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4-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanoethenyl]benzonitrile
SpectraBase Compound ID EnrQYEyF15S
InChI InChI=1S/C17H9N3S/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H/b14-9+
InChIKey XLLYYNAEBQWPPK-NTEUORMPSA-N
Mol Weight 287.34 g/mol
Molecular Formula C17H9N3S
Exact Mass 287.051718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dc05bifQaC
Name 4-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanoethenyl]benzonitrile
CAS Registry Number 173531-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9N3S
InChI InChI=1S/C17H9N3S/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H/b14-9+
InChIKey XLLYYNAEBQWPPK-NTEUORMPSA-N
Molecular Weight 287.340 g/mol
SMILES c1(nc2ccccc2s1)\C(=C\c1ccc(C#N)cc1)C#N
SPLASH splash10-000i-1290000000-be4711456db08c78c80d
Source of Spectrum AD-0-2532-0
Synonyms 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzenecarbonitrile 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzonitrile 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzonitrile 4-[2-(1,3-Benzothiazol-2-yl)-2-cyanovinyl]benzonitrile
Wiley ID 1435001