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D-Proline, N-propoxycarbonyl-, propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

D-Proline, N-propoxycarbonyl-, propyl ester
SpectraBase Compound ID I1j3ChO085A
InChI InChI=1S/C12H21NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h10H,3-9H2,1-2H3
InChIKey RKDZSXYVMYIYMP-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4OHiy5EsZYM
Name D-Proline, N-propoxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.147058156 u
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h10H,3-9H2,1-2H3
InChIKey RKDZSXYVMYIYMP-UHFFFAOYSA-N
Molecular Weight 243.303 g/mol
SMILES C1CC(C(OCCC)=O)N(C1)C(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82508