SpectraBase Spectrum ID |
186nIMNOTmM |
Name |
L-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.324294246 u |
Formula |
C26H43NO3 |
InChI |
InChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-30-26(29)22(3)27-25(28)24-19-17-23(5-2)18-20-24/h17-20,22H,4-16,21H2,1-3H3,(H,27,28) |
InChIKey |
DJTKCUAQAAQHIN-UHFFFAOYSA-N |
Molecular Weight |
417.634 g/mol |
SMILES |
C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCC)=O)C)=O)CC |