| SpectraBase Spectrum ID |
6K1RD9iLmOv |
| Name |
L-Norleucine, N-neopentyloxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-31-25(29)24(21-9-7-2)28-26(30)32-23-27(3,4)5/h24H,6-23H2,1-5H3,(H,28,30) |
| InChIKey |
GXCFRCIJWWSJNE-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
C(COC(C(NC(OCC(C)(C)C)=O)CCCC)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861158 |
