| SpectraBase Spectrum ID |
ESRkASihYHf |
| Name |
Glycine, 2-cyclohexyl-N-ethoxycarbonyl-, hexadecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-32-26(29)25(28-27(30)31-4-2)24-21-18-17-19-22-24/h24-25H,3-23H2,1-2H3,(H,28,30) |
| InChIKey |
ZEHVTXRIXHOTEH-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCC)C(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898073 |
