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Benzenepentanoic acid, .delta.-hydroxy-.beta.-oxo-.delta.-phenyl-, methyl ester
SpectraBase Compound ID D3vHtfJZCCC
InChI InChI=1S/C18H18O4/c1-22-17(20)12-16(19)13-18(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3
InChIKey KOEWOSYJFFTEBC-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KiCAXLegqn
Name Benzenepentanoic acid, .delta.-hydroxy-.beta.-oxo-.delta.-phenyl-, methyl ester
Alternate Name(s) Methyl 5-hydroxy-3-oxo-5,5-diphenylpentanoate
CAS Registry Number 35468-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-22-17(20)12-16(19)13-18(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3
InChIKey KOEWOSYJFFTEBC-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES OC(CC(CC(=O)OC)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0a7i-8900000000-e63c7049d584b18be48e
Source of Spectrum I-52-2162-4
Wiley ID 1301065