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4-(1-Ethylpropyl)benzonitrile
SpectraBase Compound ID 9B9y9SRgzdB
InChI InChI=1S/C12H15N/c1-3-11(4-2)12-7-5-10(9-13)6-8-12/h5-8,11H,3-4H2,1-2H3
InChIKey WMGKDKGPNWXCDS-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 9SvtYFaRRC7
Name 4-(1-Ethylpropyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N
InChI InChI=1S/C12H15N/c1-3-11(4-2)12-7-5-10(9-13)6-8-12/h5-8,11H,3-4H2,1-2H3
InChIKey WMGKDKGPNWXCDS-UHFFFAOYSA-N
Molecular Weight 173.259 g/mol
SMILES C(#N)c1ccc(cc1)C(CC)CC
SPLASH splash10-014m-1900000000-5448fd2ed69feb8f335f
Source of Spectrum J-55-4559-0
Synonyms 4-Pentan-3-ylbenzonitrile
Wiley ID 1169982