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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 6ahkCT0mOnC
Name 4-(1-Methyl-1H-pyrrol-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2
GC Column (25 m x 0.2 mm, film thickness 0.33 micrometer)
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
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02172
Molecular Weight 182.226 g/mol
SMILES CN1C(=CC=C1)C1=CC=C(C=C1)C#N
SPLASH splash10-004i-2900000000-00f8e2fbbc6979920c4a
Source of Spectrum JOC-88-SM17-17-2 (DOI: 10.1021/acs.joc.2c02172)
Wiley ID 1912609