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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 5o2kpm5Zpbv
Name 4-(1-Methyl-1H-pyrrol-2-yl)benzonitrile
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2
GC Column (30 m x 0.25 mm, film thickness 0.25 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 5975 single quadruple
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602349
Molecular Weight 182.226 g/mol
Quality 822
Reported Formula C12H10N2
SMILES C1=C(C=CC(=C1)C=1N(C=CC1)C)C#N
SPLASH splash10-001i-1900000000-5c73c55226e7626478a0
Source of Spectrum ACI-55-SM22-10a (DOI: 10.1002/anie.201602349)
Wiley ID 1902794