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4-ethylbenzonitrile
SpectraBase Compound ID KeqSEJm8YKl
InChI InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
InChIKey SXFFMFAQNAFSLF-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCLS1Yf285Y
Name 4-ethylbenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N
InChI InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
InChIKey SXFFMFAQNAFSLF-UHFFFAOYSA-N
Instrument Name Agilent Technologies G3171A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201901154
Molecular Weight 131.178 g/mol
SMILES c1cc(ccc1C#N)CC
SPLASH splash10-014i-2900000000-5210a4979d5bd6154de8
Source of Spectrum CCC-11-SM24-Fig. S33
Wiley ID 1836916