| SpectraBase Spectrum ID |
AUKnQ252LSr |
| Name |
D-Allylglycine, N-propoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.381809122 u |
| Formula |
C27H51NO4 |
| InChI |
InChI=1S/C27H51NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26(29)25(22-5-2)28-27(30)32-23-6-3/h5,25H,2,4,6-24H2,1,3H3,(H,28,30) |
| InChIKey |
FGRKYAWYCHZUGS-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C(CCCCCCCCOC(C(NC(OCCC)=O)CC=C)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914841 |
