| SpectraBase Spectrum ID |
DdqzoFHNqMW |
| Name |
Glycine, 2-cyclohexyl-N-ethoxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.319208865 u |
| Formula |
C23H43NO4 |
| InChI |
InChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-16-19-28-22(25)21(24-23(26)27-4-2)20-17-14-13-15-18-20/h20-21H,3-19H2,1-2H3,(H,24,26) |
| InChIKey |
MIQBGOOIQPLTRD-UHFFFAOYSA-N |
| Molecular Weight |
397.600 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCC)C(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816954 |
