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Diethyl 2-(3-(2-Bromophenyl)propyl)malonate
SpectraBase Compound ID CVbOl7uiZu9
InChI InChI=1S/C16H21BrO4/c1-3-20-15(18)13(16(19)21-4-2)10-7-9-12-8-5-6-11-14(12)17/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKey IYIMNKYHCBPBEQ-UHFFFAOYSA-N
Mol Weight 357.24 g/mol
Molecular Formula C16H21BrO4
Exact Mass 356.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bjf6Bh9z131
Name Diethyl 2-(3-(2-Bromophenyl)propyl)malonate
Appearance Colorless oil
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Formula C16H21BrO4
InChI InChI=1S/C16H21BrO4/c1-3-20-15(18)13(16(19)21-4-2)10-7-9-12-8-5-6-11-14(12)17/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKey IYIMNKYHCBPBEQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.201901595
Molecular Weight 357.244 g/mol
Reported Formula C16H21BrO4
SMILES c1cc(c(cc1)Br)CCCC(C(OCC)=O)C(=O)OCC
SPLASH splash10-0zor-4920000000-6269348f6866c8005a5d
Source of Spectrum CAJ-15-SM2-5
Thin-Layer Chromatography Rf = 0.33 (Hexane/AcOEt, 5:1)
Wiley ID 1839708