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L-Proline, N-(hexanoyl)-, propyl ester

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

L-Proline, N-(hexanoyl)-, propyl ester
SpectraBase Compound ID 1DbN6YRm13Y
InChI InChI=1S/C14H25NO3/c1-3-5-6-9-13(16)15-10-7-8-12(15)14(17)18-11-4-2/h12H,3-11H2,1-2H3
InChIKey XMHMCAJYOKGKGR-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C14H25NO3
Exact Mass 255.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1mdCdBMDvGL
Name L-Proline, N-(hexanoyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.183443666 u
Formula C14H25NO3
InChI InChI=1S/C14H25NO3/c1-3-5-6-9-13(16)15-10-7-8-12(15)14(17)18-11-4-2/h12H,3-11H2,1-2H3
InChIKey XMHMCAJYOKGKGR-UHFFFAOYSA-N
Molecular Weight 255.358 g/mol
SMILES C1C(N(C(=O)CCCCC)CC1)C(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803575