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2-(3-Bromo-2-phenyl-propyl)-malonic acid, diethyl ester

View entire compound with spectra: 2 MS (GC)

2-(3-Bromo-2-phenyl-propyl)-malonic acid, diethyl ester
SpectraBase Compound ID BrXYYAXVxiF
InChI InChI=1S/C16H21BrO4/c1-3-20-15(18)14(16(19)21-4-2)10-13(11-17)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKey NNOZYGGLMCVJDW-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 2nO5c1ulrDc
Name 2-(3-Bromo-2-phenyl-propyl)-malonic acid, diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrO4
InChI InChI=1S/C16H21BrO4/c1-3-20-15(18)14(16(19)21-4-2)10-13(11-17)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKey NNOZYGGLMCVJDW-UHFFFAOYSA-N
Molecular Weight 357.244 g/mol
SMILES c1cc(ccc1)C(CBr)CC(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-3920000000-9c796d69fa8dedbd95d2
Synonyms 2-(3-bromo-2-phenylpropyl)propanedioic acid diethyl ester Diethyl 2-(3-bromanyl-2-phenyl-propyl)propanedioate Diethyl 2-(3-bromo-2-phenyl-propyl)propanedioate Diethyl 2-(3-bromo-2-phenylpropyl)malonate Diethyl 2-(3-bromo-2-phenylpropyl)propanedioate
Wiley ID 1485646