| SpectraBase Spectrum ID |
EDtEL5HqVwN |
| Name |
L-Norleucine, N-neopentyloxycarbonyl-, tetradecyl 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/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-30-24(28)23(20-9-7-2)27-25(29)31-22-26(3,4)5/h23H,6-22H2,1-5H3,(H,27,29) |
| InChIKey |
SSGQGXDUOGBPBH-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CCCCCCCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816969 |
