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(E)-4-methyl-3-phenylhex-4-enoic acid
SpectraBase Compound ID 8LcJfhRqEBp
InChI InChI=1S/C13H16O2/c1-3-10(2)12(9-13(14)15)11-7-5-4-6-8-11/h3-8,12H,9H2,1-2H3,(H,14,15)/b10-3+
InChIKey JALQBRRXOFCNIU-XCVCLJGOSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbxTnNBvASh
Name (E)-4-methyl-3-phenylhex-4-enoic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-10(2)12(9-13(14)15)11-7-5-4-6-8-11/h3-8,12H,9H2,1-2H3,(H,14,15)/b10-3+
InChIKey JALQBRRXOFCNIU-XCVCLJGOSA-N
Instrument Name Agilent 6890N-5975
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.72
Molecular Weight 204.269 g/mol
SMILES OC(CC(c1ccccc1)\C(=C\C)C)=O
SPLASH splash10-0f92-0920000000-d5035df45259b7f91544
Sample Comments E/Z > 99:1
Source of Spectrum BJO-8-SM14-6g
Wiley ID 1867428