For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Diethyl .alpha.-acetamido-.alpha.-[2-cyanoethyl]malonate

View entire compound with spectra: 1 FTIR

Diethyl .alpha.-acetamido-.alpha.-[2-cyanoethyl]malonate
SpectraBase Compound ID Agz4vBioaxj
InChI InChI=1S/C12H18N2O5/c1-3-18-10(16)12(6-5-7-13,8-9(14)15)11(17)19-4-2/h3-6,8H2,1-2H3,(H2,14,15)
InChIKey XAJIADPMLGJVHW-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C12H18N2O5
Exact Mass 270.121572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5aOrvV6UA4L
Name Diethyl .alpha.-acetamido-.alpha.-[2-cyanoethyl]malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.121571683 u
Formula C12H18N2O5
InChI InChI=1S/C12H18N2O5/c1-3-18-10(16)12(6-5-7-13,8-9(14)15)11(17)19-4-2/h3-6,8H2,1-2H3,(H2,14,15)
InChIKey XAJIADPMLGJVHW-UHFFFAOYSA-N
Molecular Weight 270.285 g/mol
SMILES C(CCC#N)(C(=O)OCC)(C(=O)OCC)CC(=O)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81169