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Diphenylacetonitrile
SpectraBase Compound ID LRijqoCa8u4
InChI InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey NEBPTMCRLHKPOB-UHFFFAOYSA-N
Mol Weight 193.25 g/mol
Molecular Formula C14H11N
Exact Mass 193.089149 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyOABliGUoh
Name Diphenatrile
Source of Sample Sigma-Aldrich Cat. #112127
CAS Registry Number 86-29-3
Classification Pesticides
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 193.089149358 u
Formula C14H11N
InChI InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey NEBPTMCRLHKPOB-UHFFFAOYSA-N
Molecular Weight 193.249 g/mol
Number of Peaks 49
RI1 1704
SMILES C(#N)C(c1ccccc1)c1ccccc1
SPLASH splash10-00kf-2900000000-b170f9d95f66dc9438b3
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzeneacetonitrile, alpha-phenyl-
Wiley ID LM_PEST_708
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