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.beta.-Alanine, N-cyclohexylcarbonyl-, tetradecyl ester

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

.beta.-Alanine, N-cyclohexylcarbonyl-, tetradecyl ester
SpectraBase Compound ID 4E7kvsf9iiM
InChI InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-28-23(26)19-20-25-24(27)22-17-14-13-15-18-22/h22H,2-21H2,1H3,(H,25,27)
InChIKey BGFKYKHYNJJJNI-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C24H45NO3
Exact Mass 395.339944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 16eRMLWjoS7
Name .beta.-Alanine, N-cyclohexylcarbonyl-, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.339944310 u
Formula C24H45NO3
InChI InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-28-23(26)19-20-25-24(27)22-17-14-13-15-18-22/h22H,2-21H2,1H3,(H,25,27)
InChIKey BGFKYKHYNJJJNI-UHFFFAOYSA-N
Molecular Weight 395.628 g/mol
SMILES C1CCCCC1C(NCCC(OCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900317