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

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L-Proline, N-(3-methylbenzoyl)-, butyl ester
SpectraBase Compound ID 3nhFMxF0kBg
InChI InChI=1S/C17H23NO3/c1-3-4-11-21-17(20)15-9-6-10-18(15)16(19)14-8-5-7-13(2)12-14/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChIKey WEHNQKOYSYMKOH-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LldizDl6XeP
Name L-Proline, N-(3-methylbenzoyl)-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-3-4-11-21-17(20)15-9-6-10-18(15)16(19)14-8-5-7-13(2)12-14/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChIKey WEHNQKOYSYMKOH-UHFFFAOYSA-N
SMILES C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852883