| SpectraBase Spectrum ID |
L4oFvdCPqDB |
| Name |
Glycine, N-isobutoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.350508993 u |
| Formula |
C24H47NO4 |
| InChI |
InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-23(26)20-25-24(27)29-21-22(2)3/h22H,4-21H2,1-3H3,(H,25,27) |
| InChIKey |
YIAQYRQEWVBQMD-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
CC(C)COC(NCC(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813474 |
