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2-(3-keto-1-phenyl-butyl)malonic acid ditert-butyl ester
SpectraBase Compound ID 2Knjqioik8x
InChI InChI=1S/C21H30O5/c1-14(22)13-16(15-11-9-8-10-12-15)17(18(23)25-20(2,3)4)19(24)26-21(5,6)7/h8-12,16-17H,13H2,1-7H3
InChIKey FVBDEQJEQVVXRH-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkQOVxi2bYQ
Name 2-(3-keto-1-phenyl-butyl)malonic acid ditert-butyl ester
Alternate Name(s) 2-(3-oxo-1-phenylbutyl)propanedioic acid ditert-butyl ester ditert-butyl 2-(3-oxidanylidene-1-phenyl-butyl)propanedioate ditert-butyl 2-(3-oxo-1-phenyl-butyl)propanedioate
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Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-14(22)13-16(15-11-9-8-10-12-15)17(18(23)25-20(2,3)4)19(24)26-21(5,6)7/h8-12,16-17H,13H2,1-7H3
InChIKey FVBDEQJEQVVXRH-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(CC(=O)C)c1ccccc1
SPLASH splash10-0udi-0091000000-49ba2cd42e4ce3dd8f93
Source of Spectrum J-61-3529-0
Wiley ID 1349752