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4-(3-methylbut-2-en-1-yl)benzoic acid
SpectraBase Compound ID 6J2wT2XFI54
InChI InChI=1S/C12H14O2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h3,5-8H,4H2,1-2H3,(H,13,14)
InChIKey DQZXUWDSZIQTIS-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73VDMXdj0If
Name 4-(3-methylbut-2-en-1-yl)benzoic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h3,5-8H,4H2,1-2H3,(H,13,14)
InChIKey DQZXUWDSZIQTIS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900356
Molecular Weight 190.242 g/mol
SMILES OC(=O)c1ccc(CC=C(C)C)cc1
SPLASH splash10-000y-4900000000-9ecf5a4e3e0fe0c7164c
Source of Spectrum U1-2020-SM68-3f
Wiley ID 1858758