SpectraBase Spectrum ID |
KQEt4ePAg6l |
Name |
L-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/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-28-24(27)21(2)25-23(26)22-18-15-14-16-19-22/h21-22H,3-20H2,1-2H3,(H,25,26) |
InChIKey |
MFOUAGZSFMRNLL-UHFFFAOYSA-N |
Molecular Weight |
395.628 g/mol |
SMILES |
C1CCCCC1C(NC(C(OCCCCCCCCCCCCCC)=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837903 |