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Propanedioic acid, (1-pyrrolidinylmethylene)-, diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Propanedioic acid, (1-pyrrolidinylmethylene)-, diethyl ester
SpectraBase Compound ID 8lW5HjDALxo
InChI InChI=1S/C12H19NO4/c1-3-16-11(14)10(12(15)17-4-2)9-13-7-5-6-8-13/h9H,3-8H2,1-2H3
InChIKey NSEAIZBXBUHBIT-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G8V8q92VBdx
Name Propanedioic acid, (1-pyrrolidinylmethylene)-, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.131408092 u
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-3-16-11(14)10(12(15)17-4-2)9-13-7-5-6-8-13/h9H,3-8H2,1-2H3
InChIKey NSEAIZBXBUHBIT-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES C(=CN1CCCC1)(C(OCC)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971725