| SpectraBase Spectrum ID |
IjTCvoV2Kj6 |
| Name |
Glycine, N-methyl-N-ethoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.334858929 u |
| Formula |
C23H45NO4 |
| InChI |
InChI=1S/C23H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-22(25)21-24(3)23(26)27-5-2/h4-21H2,1-3H3 |
| InChIKey |
PBRDSJAWLZBCRZ-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
CCOC(N(CC(OCCCCCCCCCCCCCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846891 |
