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Dimethyl 2-[(cyanocarbonyl)amino]pentanedioate

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

Dimethyl 2-[(cyanocarbonyl)amino]pentanedioate
SpectraBase Compound ID 3Bu2WFuSmhi
InChI InChI=1S/C9H12N2O5/c1-15-8(13)4-3-6(9(14)16-2)11-7(12)5-10/h6H,3-4H2,1-2H3,(H,11,12)
InChIKey QZTJPFJYACGDKN-UHFFFAOYSA-N
Mol Weight 228.2 g/mol
Molecular Formula C9H12N2O5
Exact Mass 228.074621 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ju6eBA4Zdfb
Name Dimethyl 2-[(cyanocarbonyl)amino]pentanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.074621489 u
Formula C9H12N2O5
InChI InChI=1S/C9H12N2O5/c1-15-8(13)4-3-6(9(14)16-2)11-7(12)5-10/h6H,3-4H2,1-2H3,(H,11,12)
InChIKey QZTJPFJYACGDKN-UHFFFAOYSA-N
Molecular Weight 228.204 g/mol
SMILES C(#N)C(NC(C(=O)OC)CCC(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974868