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Diethyl 2-(2-bromophenyl)-2-methylmalonate
SpectraBase Compound ID 7psxFCIgxJp
InChI InChI=1S/C14H17BrO4/c1-4-18-12(16)14(3,13(17)19-5-2)10-8-6-7-9-11(10)15/h6-9H,4-5H2,1-3H3
InChIKey CYTRPUYAILKHQZ-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 CKFgOk91C91
Name Diethyl 2-(2-bromophenyl)-2-methylmalonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrO4
InChI InChI=1S/C14H17BrO4/c1-4-18-12(16)14(3,13(17)19-5-2)10-8-6-7-9-11(10)15/h6-9H,4-5H2,1-3H3
InChIKey CYTRPUYAILKHQZ-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL/5975 GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00617
Molecular Weight 329.190 g/mol
Reported Formula C14H17BrO4
SMILES c1cc(c(cc1)Br)C(C)(C(OCC)=O)C(=O)OCC
SPLASH splash10-0002-0930000000-f100ba0de177ed0a3725
Source of Spectrum A1-23-SM14-1s
Thin-Layer Chromatography Rf = 0.35 (silica, petroleum ether/ethyl acetate, 5:1)
Wiley ID 1868164