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L-Proline, N-(cyclohexanecarbonyl)-, butyl ester

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

L-Proline, N-(cyclohexanecarbonyl)-, butyl ester
SpectraBase Compound ID LqeOLDsH8Pa
InChI InChI=1S/C16H27NO3/c1-2-3-12-20-16(19)14-10-7-11-17(14)15(18)13-8-5-4-6-9-13/h13-14H,2-12H2,1H3
InChIKey UCHNBSRWIMNZGY-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C16H27NO3
Exact Mass 281.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 56W8ggPrGd0
Name L-Proline, N-(cyclohexanecarbonyl)-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.199093730 u
Formula C16H27NO3
InChI InChI=1S/C16H27NO3/c1-2-3-12-20-16(19)14-10-7-11-17(14)15(18)13-8-5-4-6-9-13/h13-14H,2-12H2,1H3
InChIKey UCHNBSRWIMNZGY-UHFFFAOYSA-N
SMILES C1C(CCCC1)C(N1CCCC1C(=O)OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811317