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(E)-2-hydroxy-4-keto-6-phenyl-hex-5-enoic acid methyl ester
SpectraBase Compound ID 1Jv4fllhxzE
InChI InChI=1S/C13H14O4/c1-17-13(16)12(15)9-11(14)8-7-10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3/b8-7+
InChIKey LJWUPYNWZLDBFB-BQYQJAHWSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Gvk801wXxF
Name (E)-2-hydroxy-4-keto-6-phenyl-hex-5-enoic acid methyl ester
Alternate Name(s) (E)-2-hydroxy-4-oxo-6-phenyl-5-hexenoic acid methyl ester Methyl (E)-2-hydroxy-4-oxo-6-phenyl-hex-5-enoate Methyl (E)-2-oxidanyl-4-oxidanylidene-6-phenyl-hex-5-enoate
CAS Registry Number 115495-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-17-13(16)12(15)9-11(14)8-7-10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3/b8-7+
InChIKey LJWUPYNWZLDBFB-BQYQJAHWSA-N
Molecular Weight 234.251 g/mol
SMILES OC(CC(\C=C\c1ccccc1)=O)C(=O)OC
SPLASH splash10-0ugi-3900000000-9c223bddd0dae4674fe5
Source of Spectrum AJ-60-4096-8
Wiley ID 1235933