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(E/Z)-diethyl 2-(but-2-ynyl)-2-(3-cyanoallyl)malonate

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

(E/Z)-diethyl 2-(but-2-ynyl)-2-(3-cyanoallyl)malonate
SpectraBase Compound ID 54zq19BrYjB
InChI InChI=1S/C15H19NO4/c1-4-7-10-15(11-8-9-12-16,13(17)19-5-2)14(18)20-6-3/h8-9H,5-6,10-11H2,1-3H3/b9-8+
InChIKey AXBKSPOITLDSQA-CMDGGOBGSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 50BoYupYvrv
Name (E/Z)-Diethyl 2-(but-2-ynyl)-2-(3-cyanoallyl)malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.131408092 u
Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c1-4-7-10-15(11-8-9-12-16,13(17)19-5-2)14(18)20-6-3/h8-9H,5-6,10-11H2,1-3H3/b9-8+
InChIKey AXBKSPOITLDSQA-CMDGGOBGSA-N
SMILES C(C(OCC)=O)(CC#CC)(C(OCC)=O)C\C=C\C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960457