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2-(1H-pyrrol-1-yl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-(1H-pyrrol-1-yl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile
SpectraBase Compound ID HM3SPZK7FSi
InChI InChI=1S/C14H14N2S/c15-10-12-11-6-2-1-3-7-13(11)17-14(12)16-8-4-5-9-16/h4-5,8-9H,1-3,6-7H2
InChIKey BPFUZHFWEMTFCU-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C14H14N2S
Exact Mass 242.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98jzapppPNB
Name 2-(1H-pyrrol-1-yl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2S
InChI InChI=1S/C14H14N2S/c15-10-12-11-6-2-1-3-7-13(11)17-14(12)16-8-4-5-9-16/h4-5,8-9H,1-3,6-7H2
InChIKey BPFUZHFWEMTFCU-UHFFFAOYSA-N
Molecular Weight 242.340 g/mol
SMILES C(c1c2c(sc1-[n]1cccc1)CCCCC2)#N
SPLASH splash10-000f-9880000000-f39a82439e2fc8c43068
Source of Spectrum IY-2-5162-3
Synonyms 4H-Cyclohepta[b]thiophene-3-carbonitrile, 5,6,7,8-tetrahydro-2-(1H-pyrrol-1-yl)- 2-(1-pyrrolyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Wiley ID 1659606