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2-(2-Nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 3WzwTGcgdEj
InChI InChI=1S/C15H13N3O2S/c16-9-11-10-5-1-4-8-14(10)21-15(11)17-12-6-2-3-7-13(12)18(19)20/h2-3,6-7,17H,1,4-5,8H2
InChIKey BSOCREKRSSBXNK-UHFFFAOYSA-N
Mol Weight 299.35 g/mol
Molecular Formula C15H13N3O2S
Exact Mass 299.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiuBilPeyvB
Name 2-(2-Nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Alternate Name(s) 2-(2-nitroanilino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-[(2-nitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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Formula C15H13N3O2S
InChI InChI=1S/C15H13N3O2S/c16-9-11-10-5-1-4-8-14(10)21-15(11)17-12-6-2-3-7-13(12)18(19)20/h2-3,6-7,17H,1,4-5,8H2
InChIKey BSOCREKRSSBXNK-UHFFFAOYSA-N
Molecular Weight 299.348 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)c1c(N(=O)=O)cccc1
SPLASH splash10-00dj-6960000000-2f902a33fb67a3e3f1a0
Wiley ID 1452177