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3-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile
SpectraBase Compound ID 2eOiF5bQBw7
InChI InChI=1S/C13H12N2S/c14-9-12-13(15-7-3-4-8-15)10-5-1-2-6-11(10)16-12/h3-4,7-8H,1-2,5-6H2
InChIKey QLGFLLSSUGYINR-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C13H12N2S
Exact Mass 228.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCqpW0BKB60
Name 3-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2S
InChI InChI=1S/C13H12N2S/c14-9-12-13(15-7-3-4-8-15)10-5-1-2-6-11(10)16-12/h3-4,7-8H,1-2,5-6H2
InChIKey QLGFLLSSUGYINR-UHFFFAOYSA-N
Molecular Weight 228.313 g/mol
SMILES c1(c(c2CCCCc2s1)-[n]1cccc1)C#N
SPLASH splash10-0f79-9000000000-acc8b411cd35a287b1da
Synonyms 3-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile 3-Pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile 3-Pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-2-carbonitrile Benzothiophene-2-carbonitrile, 4,5,6,7-tetrahydro-3-(1-pyrrolyl)-
Wiley ID 1454357