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4-(3-methylbut-2-en-1-yl)benzonitrile
SpectraBase Compound ID 9bkCa8ehl6e
InChI InChI=1S/C12H13N/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h3,5-8H,4H2,1-2H3
InChIKey QVRDEDRVJRWPPW-UHFFFAOYSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYa5J96Q8z1
Name 4-(3-methylbut-2-en-1-yl)benzonitrile
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h3,5-8H,4H2,1-2H3
InChIKey QVRDEDRVJRWPPW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900356
Molecular Weight 171.243 g/mol
SMILES C(c1ccc(CC=C(C)C)cc1)#N
SPLASH splash10-0ar0-3900000000-b4b0682d47916277143c
Source of Spectrum U1-2020-SM56-3b
Wiley ID 1858754