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(E)-Diethyl 2-(-6-chloro-1-phenyl-2-hexenyl)malonate

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(E)-Diethyl 2-(-6-chloro-1-phenyl-2-hexenyl)malonate
SpectraBase Compound ID L1zaCfQX9tS
InChI InChI=1S/C19H25ClO4/c1-3-23-18(21)17(19(22)24-4-2)16(13-9-6-10-14-20)15-11-7-5-8-12-15/h5,7-9,11-13,16-17H,3-4,6,10,14H2,1-2H3/b13-9+
InChIKey VUFCFRKFZYSTKS-UKTHLTGXSA-N
Mol Weight 352.86 g/mol
Molecular Formula C19H25ClO4
Exact Mass 352.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fHIzDtJIbp
Name (E)-Diethyl 2-(-6-chloro-1-phenyl-2-hexenyl)malonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.144136981 u
Formula C19H25ClO4
InChI InChI=1S/C19H25ClO4/c1-3-23-18(21)17(19(22)24-4-2)16(13-9-6-10-14-20)15-11-7-5-8-12-15/h5,7-9,11-13,16-17H,3-4,6,10,14H2,1-2H3/b13-9+
InChIKey VUFCFRKFZYSTKS-UKTHLTGXSA-N
Molecular Weight 352.858 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C(\C=C\CCCCl)C1=CC=CC=C1