| SpectraBase Spectrum ID |
FKCfHPwBZ8 |
| Name |
L-Norleucine, N-neopentyloxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.413109251 u |
| Formula |
C28H55NO4 |
| InChI |
InChI=1S/C28H55NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-32-26(30)25(22-9-7-2)29-27(31)33-24-28(3,4)5/h25H,6-24H2,1-5H3,(H,29,31) |
| InChIKey |
FLXPMGBQCASEBU-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
C(CCOC(C(NC(OCC(C)(C)C)=O)CCCC)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908752 |
