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Dimethyl 2-(4-cyanobutanoyl)succinate

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

Dimethyl 2-(4-cyanobutanoyl)succinate
SpectraBase Compound ID 4uWoSU6jAPD
InChI InChI=1S/C11H15NO5/c1-16-10(14)7-8(11(15)17-2)9(13)5-3-4-6-12/h8H,3-5,7H2,1-2H3
InChIKey MXEIPJYMQMRLGM-UHFFFAOYSA-N
Mol Weight 241.24 g/mol
Molecular Formula C11H15NO5
Exact Mass 241.095023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6LySpwU17fU
Name Dimethyl 2-(4-cyanobutanoyl)succinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.095022582 u
Formula C11H15NO5
InChI InChI=1S/C11H15NO5/c1-16-10(14)7-8(11(15)17-2)9(13)5-3-4-6-12/h8H,3-5,7H2,1-2H3
InChIKey MXEIPJYMQMRLGM-UHFFFAOYSA-N
Molecular Weight 241.243 g/mol
SMILES C(CC#N)CC(C(CC(OC)=O)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969152