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2-Hydroxy-3-oxo-2-phenylpimelic acid 1-methyl ester
SpectraBase Compound ID KnFDyD3bs4U
InChI InChI=1S/C14H16O6/c1-20-13(18)14(19,10-6-3-2-4-7-10)11(15)8-5-9-12(16)17/h2-4,6-7,19H,5,8-9H2,1H3,(H,16,17)
InChIKey LIHLBMUUCIBHDG-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZfZX3hNyGi
Name 2-Hydroxy-3-oxo-2-phenylpimelic acid 1-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-20-13(18)14(19,10-6-3-2-4-7-10)11(15)8-5-9-12(16)17/h2-4,6-7,19H,5,8-9H2,1H3,(H,16,17)
InChIKey LIHLBMUUCIBHDG-UHFFFAOYSA-N
Molecular Weight 280.276 g/mol
SMILES OC(CCCC(C(C(=O)OC)(c1ccccc1)O)=O)=O
SPLASH splash10-0aq9-0980000000-33e1d2a3d6879bf04338
Source of Spectrum F-52-11043-5
Synonyms 6-Hydroxy-7-methoxy-5,7-dioxo-6-phenylheptanoic acid
Wiley ID 798279