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4-(1-Methyl-1H-pyrrol-2-yl) benzonitrile

View entire compound with spectra: 4 MS (GC)

4-(1-Methyl-1H-pyrrol-2-yl) benzonitrile
SpectraBase Compound ID 9ixaohybTY
InChI InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3
InChIKey XQULKEFRCLIVTR-UHFFFAOYSA-N
Mol Weight 182.23 g/mol
Molecular Formula C12H10N2
Exact Mass 182.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C33OJirtQyP
Name 4-(1-Methyl-1H-pyrrol-2-yl) benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2
InChI InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3
InChIKey XQULKEFRCLIVTR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b03581
Molecular Weight 182.226 g/mol
SMILES c1cc[n](c1-c1ccc(cc1)C#N)C
SPLASH splash10-001i-0900000000-a8e4c415c78100c9c7aa
Source of Spectrum A1-18-544/SM11-3c
Synonyms 4-(1-Methyl-1H-pyrrol-2-yl)benzonitrile
Wiley ID 1805128