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(E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)acrylonitrile
SpectraBase Compound ID 5yKjjdLf3Ak
InChI InChI=1S/C16H9N3O2S/c17-10-12(9-11-5-7-13(8-6-11)19(20)21)16-18-14-3-1-2-4-15(14)22-16/h1-9H/b12-9+
InChIKey BZRGZMKGMOAWJD-FMIVXFBMSA-N
Mol Weight 307.33 g/mol
Molecular Formula C16H9N3O2S
Exact Mass 307.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnrGT5OHZE0
Name (E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)acrylonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H9N3O2S
InChI InChI=1S/C16H9N3O2S/c17-10-12(9-11-5-7-13(8-6-11)19(20)21)16-18-14-3-1-2-4-15(14)22-16/h1-9H/b12-9+
InChIKey BZRGZMKGMOAWJD-FMIVXFBMSA-N
Molecular Weight 307.327 g/mol
SMILES c1(nc2ccccc2s1)\C(=C\c1ccc([N+]([O-])=O)cc1)C#N
SPLASH splash10-0a4i-0029000000-0c6752bfb6b244e7d038
Source of Spectrum KC-0-1764-2e
Synonyms (E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)-2-propenenitrile (E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Wiley ID 784044