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2-[(E)-(4-nitrobenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
SpectraBase Compound ID aDwBtMjEB2
InChI InChI=1S/C16H13N3O2S/c17-9-14-13-3-1-2-4-15(13)22-16(14)18-10-11-5-7-12(8-6-11)19(20)21/h5-8,10H,1-4H2/b18-10+
InChIKey GZTZMWJZAWZZQK-VCHYOVAHSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMJxON9jVKB
Name 2-[(E)-(4-nitrobenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c17-9-14-13-3-1-2-4-15(13)22-16(14)18-10-11-5-7-12(8-6-11)19(20)21/h5-8,10H,1-4H2/b18-10+
InChIKey GZTZMWJZAWZZQK-VCHYOVAHSA-N
Molecular Weight 311.359 g/mol
SMILES c12c(CCCC2)sc(c1C#N)\N=C\c1ccc(cc1)N(=O)=O
SPLASH splash10-03di-9732000000-1ca404ef4126a3ae86b9
Synonyms 2-[(E)-(4-nitrophenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-{[(E)-(4-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Wiley ID 1452695