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Diethyl 6-cyano-1-phenyl-2-hexenylmalonate

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

Diethyl 6-cyano-1-phenyl-2-hexenylmalonate
SpectraBase Compound ID KKMkaefTMkM
InChI InChI=1S/C20H25NO4/c1-3-24-19(22)18(20(23)25-4-2)17(14-10-5-6-11-15-21)16-12-8-7-9-13-16/h7-10,12-14,17-18H,3-6,11H2,1-2H3/b14-10+
InChIKey XCZLZVABNFNSAQ-GXDHUFHOSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DELqiDBXyME
Name Diethyl 6-cyano-1-phenyl-2-hexenylmalonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.178358285 u
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-3-24-19(22)18(20(23)25-4-2)17(14-10-5-6-11-15-21)16-12-8-7-9-13-16/h7-10,12-14,17-18H,3-6,11H2,1-2H3/b14-10+
InChIKey XCZLZVABNFNSAQ-GXDHUFHOSA-N
Molecular Weight 343.423 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C(\C=C\CCCC#N)C=1C=CC=CC1