| SpectraBase Spectrum ID |
6IdoHck2xwt |
| Name |
L-Leucine, N-isobutoxycarbonyl-N-methyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.428759315 u |
| Formula |
C29H57NO4 |
| InChI |
InChI=1S/C29H57NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-28(31)27(23-25(2)3)30(6)29(32)34-24-26(4)5/h25-27H,7-24H2,1-6H3 |
| InChIKey |
PVKMCCGPFKKHPT-UHFFFAOYSA-N |
| Molecular Weight |
483.778 g/mol |
| SMILES |
CC(C)COC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)CC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825231 |
