SpectraBase Spectrum ID |
JD1o4Hr5vs4 |
Name |
L-Leucine, N-formyl-, 1-(2-nonenyl)dodecyl ester, [S-(E)]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
451.402544568 u |
Formula |
C28H53NO3 |
InChI |
InChI=1S/C28H53NO3/c1-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-2)32-28(31)27(29-24-30)23-25(3)4/h17,19,24-27H,5-16,18,20-23H2,1-4H3,(H,29,30)/b19-17+/t26-,27+/m1/s1 |
InChIKey |
HLVOUCDABWAGAC-MKGGYCTOSA-N |
Molecular Weight |
451.736 g/mol |
SMILES |
C([C@](CC(C)C)(NC=O)[H])(O[C@](C\C=C\CCCCCC)(CCCCCCCCCCC)[H])=O |