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QIBWMVSMTSYUSK-UHFFFAOYSA-N
SpectraBase Compound ID JRZAZ9MCZBR
InChI InChI=1S/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3
InChIKey QIBWMVSMTSYUSK-UHFFFAOYSA-N
Mol Weight 193.25 g/mol
Molecular Formula C14H11N
Exact Mass 193.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wbra81ksaF
Name 4-(4-methylbenzene)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.089149358 u
Formula C14H11N
GC Column (25 m x 0.2 mm, film thickness 0.33 micrometer)
InChI InChI=1S/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3
InChIKey QIBWMVSMTSYUSK-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02172
Molecular Weight 193.249 g/mol
Quality 534
SMILES C1=C(C=CC(=C1)C)C1=CC=C(C=C1)C#N
SPLASH splash10-0006-9800000000-ea871866cce5ba8f5f30
Source of Spectrum JOC-88-SM17-17-5 (DOI: 10.1021/acs.joc.2c02172)
Wiley ID 1912612