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L-Alanine, N-(cyclohexylcarbonyl)-, isohexyl ester

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

L-Alanine, N-(cyclohexylcarbonyl)-, isohexyl ester
SpectraBase Compound ID KsM7UKKqBrj
InChI InChI=1S/C16H29NO3/c1-12(2)8-7-11-20-16(19)13(3)17-15(18)14-9-5-4-6-10-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKey MYWSMQNCBOZRAX-UHFFFAOYSA-N
Mol Weight 283.41 g/mol
Molecular Formula C16H29NO3
Exact Mass 283.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7E3Z3zRpo8p
Name L-Alanine, N-(cyclohexylcarbonyl)-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.214743795 u
Formula C16H29NO3
InChI InChI=1S/C16H29NO3/c1-12(2)8-7-11-20-16(19)13(3)17-15(18)14-9-5-4-6-10-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKey MYWSMQNCBOZRAX-UHFFFAOYSA-N
SMILES C1CCCCC1C(NC(C(OCCCC(C)C)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804772