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L-Proline, N-(3-methylbenzoyl)-, propyl ester

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

L-Proline, N-(3-methylbenzoyl)-, propyl ester
SpectraBase Compound ID GWx4LYgJGno
InChI InChI=1S/C16H21NO3/c1-3-10-20-16(19)14-8-5-9-17(14)15(18)13-7-4-6-12(2)11-13/h4,6-7,11,14H,3,5,8-10H2,1-2H3
InChIKey PBPOHMHICPJDES-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBfDqRkfL3f
Name L-Proline, N-(3-methylbenzoyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-3-10-20-16(19)14-8-5-9-17(14)15(18)13-7-4-6-12(2)11-13/h4,6-7,11,14H,3,5,8-10H2,1-2H3
InChIKey PBPOHMHICPJDES-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES C1(=CC=CC(=C1)C(N1CCCC1C(OCCC)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914357