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3-(s-Butyl)benzonitrile
SpectraBase Compound ID GSKdXaj2vsU
InChI InChI=1S/C11H13N/c1-3-9(2)11-6-4-5-10(7-11)8-12/h4-7,9H,3H2,1-2H3
InChIKey PFFUSDUHCOEYNZ-UHFFFAOYSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yEVC4yOeLx
Name 3-(s-Butyl)benzonitrile
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N
InChI InChI=1S/C11H13N/c1-3-9(2)11-6-4-5-10(7-11)8-12/h4-7,9H,3H2,1-2H3
InChIKey PFFUSDUHCOEYNZ-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101571
Molecular Weight 159.232 g/mol
Reported Formula C11H13N
SMILES C(CC)(C)c1cc(ccc1)C#N
SPLASH splash10-014i-1900000000-ea9e1911a83a791e88ed
Source of Spectrum ACI-60-SM21-47
Wiley ID 1880356