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4-[2-(4-chlorophenyl)ethyl]-3-keto-enanthic acid methyl ester
SpectraBase Compound ID ExYbvOiqQy3
InChI InChI=1S/C16H21ClO3/c1-3-4-13(15(18)11-16(19)20-2)8-5-12-6-9-14(17)10-7-12/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKey ZMWVEQDAZCHAJJ-UHFFFAOYSA-N
Mol Weight 296.79 g/mol
Molecular Formula C16H21ClO3
Exact Mass 296.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SOZtfHbaN7
Name 4-[2-(4-chlorophenyl)ethyl]-3-keto-enanthic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClO3
InChI InChI=1S/C16H21ClO3/c1-3-4-13(15(18)11-16(19)20-2)8-5-12-6-9-14(17)10-7-12/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKey ZMWVEQDAZCHAJJ-UHFFFAOYSA-N
Molecular Weight 296.794 g/mol
SMILES C(C(=O)C(CCc1ccc(cc1)Cl)CCC)C(=O)OC
SPLASH splash10-0a90-2900000000-eadab37db84d7cca3d72
Source of Spectrum J-63-1859-0
Synonyms 4-[2-(4-chlorophenyl)ethyl]-3-oxoheptanoic acid methyl ester Methyl 4-[2-(4-chlorophenyl)ethyl]-3-oxidanylidene-heptanoate Methyl 4-[2-(4-chlorophenyl)ethyl]-3-oxo-heptanoate
Wiley ID 1298994