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1-isobutyl-4-(pent-1-en-1-yl)benzene
SpectraBase Compound ID ALyb9PwAVLe
InChI InChI=1S/C15H22/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)3/h6-11,13H,4-5,12H2,1-3H3
InChIKey ZOFGKFHPRUUHLD-UHFFFAOYSA-N
Mol Weight 202.34 g/mol
Molecular Formula C15H22
Exact Mass 202.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25qx72sa9NM
Name 1-isobutyl-4-(pent-1-en-1-yl)benzene
Appearance Pale orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.172150708 u
Formula C15H22
GC Column HP-5MS (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C15H22/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)3/h6-11,13H,4-5,12H2,1-3H3
InChIKey ZOFGKFHPRUUHLD-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975 inert MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203512
Molecular Weight 202.341 g/mol
Quality 218
SMILES C(C(C)C)C1=CC=C(C=C1)C=CCCC
SPLASH splash10-014i-0910000000-3454ba6c84762da9c833
Sample Comments E/Z = 3:1
Source of Spectrum QE-29-SM84-4x (DOI: 10.1002/chem.202203512)
Thin-Layer Chromatography 0.90 (mixture, pentane/EtOAc, 20:1)
Wiley ID 1909377