| SpectraBase Spectrum ID |
2mUlx4dzZmq |
| Name |
L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-7-10-12-13-14-15-16-17-19-30-25(28)24(20-22(4)5)27(6)26(29)31-21-23(9-3)18-11-8-2/h22-24H,7-21H2,1-6H3 |
| InChIKey |
CREQSFVBOIFHIB-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940989 |
