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3-(o-tolyl)propanenitrile
SpectraBase Compound ID DdXHRKz50Fy
InChI InChI=1S/C10H11N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7H2,1H3
InChIKey NILUTMFDHHGQHO-UHFFFAOYSA-N
Mol Weight 145.2 g/mol
Molecular Formula C10H11N
Exact Mass 145.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQSSqcRR0Q0
Name 3-(o-tolyl)propanenitrile
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N
InChI InChI=1S/C10H11N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7H2,1H3
InChIKey NILUTMFDHHGQHO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801412
Molecular Weight 145.205 g/mol
SMILES c1(c(cccc1)C)CCC#N
SPLASH splash10-0a4i-1900000000-ee27b89328111f88d539
Source of Spectrum U1-2019-SM12-1i
Wiley ID 1843570