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Diethyl 2-(5,5-diphenylpent-4-enyl)-2-chloromalonate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Diethyl 2-(5,5-diphenylpent-4-enyl)-2-chloromalonate
SpectraBase Compound ID F1UDZDiMILA
InChI InChI=1S/C24H27ClO4/c1-3-28-22(26)24(25,23(27)29-4-2)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-17H,3-4,11-12,18H2,1-2H3
InChIKey SKPHQFIGFUMSSA-UHFFFAOYSA-N
Mol Weight 414.93 g/mol
Molecular Formula C24H27ClO4
Exact Mass 414.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWvbmCvoRN4
Name Diethyl 2-(5,5-diphenylpent-4-enyl)-2-chloromalonate
Comments Computed using HOSE algorithm
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Exact Mass 414.159787045 u
Formula C24H27ClO4
InChI InChI=1S/C24H27ClO4/c1-3-28-22(26)24(25,23(27)29-4-2)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-17H,3-4,11-12,18H2,1-2H3
InChIKey SKPHQFIGFUMSSA-UHFFFAOYSA-N
Molecular Weight 414.929 g/mol
SMILES C(C(C(=O)OCC)(Cl)CCCC=C(C=1C=CC=CC1)C=1C=CC=CC1)(=O)OCC