| SpectraBase Spectrum ID |
6aXTArXaBCx |
| Name |
L-Leucine, N-cyclopropylcarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.371244439 u |
| Formula |
C26H49NO3 |
| InChI |
InChI=1S/C26H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-26(29)24(21-22(2)3)27-25(28)23-18-19-23/h22-24H,4-21H2,1-3H3,(H,27,28) |
| InChIKey |
LZBWPYUZOKAADA-UHFFFAOYSA-N |
| Molecular Weight |
423.682 g/mol |
| SMILES |
C(NC(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)(=O)C1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840546 |
