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Diethyl 2-(2-Bromobenzyl)malonate
SpectraBase Compound ID 9OVnZx0Dz21
InChI InChI=1S/C14H17BrO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-8,11H,3-4,9H2,1-2H3
InChIKey GTTUKNWHBBEELY-UHFFFAOYSA-N
Mol Weight 329.19 g/mol
Molecular Formula C14H17BrO4
Exact Mass 328.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiTUu7lj1mr
Name Diethyl 2-(2-Bromobenzyl)malonate
Appearance Colorless oil
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Formula C14H17BrO4
InChI InChI=1S/C14H17BrO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-8,11H,3-4,9H2,1-2H3
InChIKey GTTUKNWHBBEELY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.201901595
Molecular Weight 329.190 g/mol
Reported Formula C14H17BrO4
SMILES c1cc(c(cc1)Br)CC(C(=O)OCC)C(=O)OCC
SPLASH splash10-0f92-4930000000-e048fdd75c730097388f
Source of Spectrum CAJ-15-SM1-1b
Thin-Layer Chromatography Rf = 0.37 (Hexane/AcOEt, 5:1)
Wiley ID 1839704