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3-(4-(2-Methylallyl)phenyl)butanal
SpectraBase Compound ID 5Q9wobATk7f
InChI InChI=1S/C14H18O/c1-11(2)10-13-4-6-14(7-5-13)12(3)8-9-15/h4-7,9,12H,1,8,10H2,2-3H3
InChIKey PKLRTCGRTUQCFM-UHFFFAOYSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGVIuRNjJ6g
Name 3-(4-(2-Methylallyl)phenyl)butanal
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-11(2)10-13-4-6-14(7-5-13)12(3)8-9-15/h4-7,9,12H,1,8,10H2,2-3H3
InChIKey PKLRTCGRTUQCFM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 202.297 g/mol
SMILES CC(Cc1ccc(cc1)C(CC=O)C)=C
SPLASH splash10-0a4m-3900000000-a7825b8d9bbb067c42b6
Source of Spectrum WO2016074698A1
Thin-Layer Chromatography Rf = 0.22
Wiley ID 1851105