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4-Butylbenzonitrile
SpectraBase Compound ID NPMwYuSIak
InChI InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChIKey KGZNJCXNPLUEQS-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 4quDdYYLXvP
Name 4-Butylbenzonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N
InChI InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChIKey KGZNJCXNPLUEQS-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 c1(ccc(cc1)CCCC)C#N
SPLASH splash10-014i-1900000000-9504c84ddeb47d03e07f
Source of Spectrum ACI-60-SM11-11
Wiley ID 1880320