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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 HqKurRQeMXO
Name 2-(3-BROMO-2-PHENYLPROPYL)MALONIC ACID, DIETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21O4Br
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 356.0617
SMILES c1(C(CC(C(OCC)=O)C(OCC)=O)CBr)ccccc1
SPLASH splash10-004i-3920000000-9c796d69fa8dedbd95d2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany