| SpectraBase Spectrum ID |
GnSnQbQfotA |
| Name |
L-Allylglycine, N-isobutoxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-24(27)23(19-6-2)26-25(28)30-21-22(3)4/h6,22-23H,2,5,7-21H2,1,3-4H3,(H,26,28) |
| InChIKey |
XWTPIQREWUEGLM-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
C(C(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCC)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885288 |
