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2-(3-keto-1,3-diphenyl-propyl)malonic acid ditert-butyl ester
SpectraBase Compound ID BQDp38nFmov
InChI InChI=1S/C26H32O5/c1-25(2,3)30-23(28)22(24(29)31-26(4,5)6)20(18-13-9-7-10-14-18)17-21(27)19-15-11-8-12-16-19/h7-16,20,22H,17H2,1-6H3
InChIKey XDBSMEHSMREKIV-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C26H32O5
Exact Mass 424.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Hsrnok9w
Name 2-(3-keto-1,3-diphenyl-propyl)malonic acid ditert-butyl ester
Alternate Name(s) 2-(3-oxo-1,3-diphenylpropyl)propanedioic acid ditert-butyl ester ditert-butyl 2-(3-oxidanylidene-1,3-diphenyl-propyl)propanedioate ditert-butyl 2-(3-oxo-1,3-diphenylpropyl)propanedioate
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Formula C26H32O5
InChI InChI=1S/C26H32O5/c1-25(2,3)30-23(28)22(24(29)31-26(4,5)6)20(18-13-9-7-10-14-18)17-21(27)19-15-11-8-12-16-19/h7-16,20,22H,17H2,1-6H3
InChIKey XDBSMEHSMREKIV-UHFFFAOYSA-N
Molecular Weight 424.537 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(CC(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0bt9-3796000000-310cae368bb4911dd3c5
Source of Spectrum QE-4-823-15
Wiley ID 843472