| SpectraBase Spectrum ID |
Kne5gKW0947 |
| Name |
L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.350508993 u |
| Formula |
C24H47NO4 |
| InChI |
InChI=1S/C24H47NO4/c1-7-10-12-13-14-15-17-28-23(26)22(18-20(4)5)25(6)24(27)29-19-21(9-3)16-11-8-2/h20-22H,7-19H2,1-6H3 |
| InChIKey |
NWPIDUAZYHOYFC-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891059 |
