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Methyl (2R,3S)-1-methyl-5-oxo-2-phenyl-3-(pivalamidomethyl)pyrrolidine-3-carboxylate
SpectraBase Compound ID 3yXqDMlXgPl
InChI InChI=1S/C19H26N2O4/c1-18(2,3)16(23)20-12-19(17(24)25-5)11-14(22)21(4)15(19)13-9-7-6-8-10-13/h6-10,15H,11-12H2,1-5H3,(H,20,23)/t15-,19+/m1/s1
InChIKey UUCNJEZYFQILGB-BEFAXECRSA-N
Mol Weight 346.43 g/mol
Molecular Formula C19H26N2O4
Exact Mass 346.189257 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LeiZ5HhxVSO
Name Methyl (2R,3S)-1-methyl-5-oxo-2-phenyl-3-(pivalamidomethyl)pyrrolidine-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.189257321 u
Formula C19H26N2O4
InChI InChI=1S/C19H26N2O4/c1-18(2,3)16(23)20-12-19(17(24)25-5)11-14(22)21(4)15(19)13-9-7-6-8-10-13/h6-10,15H,11-12H2,1-5H3,(H,20,23)/t15-,19+/m1/s1
InChIKey UUCNJEZYFQILGB-BEFAXECRSA-N
Molecular Weight 346.427 g/mol
SMILES [C@]1(N(C(C[C@]1(C(=O)OC)CNC(C(C)(C)C)=O)=O)C)(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851958