| SpectraBase Spectrum ID |
ICMEXp6Trel |
| Name |
D-Proline, 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-26(29)25-21-20-22-28(25)27(30)32-23-4-2/h25H,3-24H2,1-2H3 |
| InChIKey |
AORYCEYEWUIFDG-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C1CC(C(OCCCCCCCCCCCCCCCCCC)=O)N(C1)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898672 |
