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(4-Butylphenyl)acetonitrile
SpectraBase Compound ID HDgjdM3vIQv
InChI InChI=1S/C12H15N/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h5-8H,2-4,9H2,1H3
InChIKey CERYQSTXDBMLOP-UHFFFAOYSA-N
Mol Weight 173.26 g/mol
Molecular Formula C12H15N
Exact Mass 173.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcHbC8kri6k
Name (4-Butylphenyl)acetonitrile
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N
InChI InChI=1S/C12H15N/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h5-8H,2-4,9H2,1H3
InChIKey CERYQSTXDBMLOP-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101571
Molecular Weight 173.259 g/mol
Reported Formula C12H15N
SMILES c1c(ccc(c1)CCCC)CC#N
SPLASH splash10-001i-1900000000-a0e143caafa7644830bd
Source of Spectrum ACI-60-SM12-13
Wiley ID 1880322