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Diethyl 2-(3,3,3-trifluoro-1-phenylpropyl)malonate
SpectraBase Compound ID 3U2L8SvpnGa
InChI InChI=1S/C16H19F3O4/c1-3-22-14(20)13(15(21)23-4-2)12(10-16(17,18)19)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey FWWDDYMWLPNJIG-UHFFFAOYSA-N
Mol Weight 332.32 g/mol
Molecular Formula C16H19F3O4
Exact Mass 332.123544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HgLSyYMOA3
Name Diethyl 2-(3,3,3-trifluoro-1-phenylpropyl)malonate
Appearance Pale yellow oil
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Formula C16H19F3O4
InChI InChI=1S/C16H19F3O4/c1-3-22-14(20)13(15(21)23-4-2)12(10-16(17,18)19)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey FWWDDYMWLPNJIG-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202010839
Molecular Weight 332.319 g/mol
SMILES C(C)OC(C(C(=O)OCC)C(CC(F)(F)F)c1ccccc1)=O
SPLASH splash10-0a59-1892000000-7c1f8a3a295991b5d715
Source of Spectrum ACI-60-SM21-3an
Wiley ID 1880186