| SpectraBase Spectrum ID |
3rVx5PUsuxi |
| Name |
Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-3-5-7-9-11-16-20-29-24(27)23(22-18-14-13-15-19-22)26-25(28)30-21-17-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3,(H,26,28) |
| InChIKey |
MEPQIYSASSPJKU-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCCCCCCCC)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832599 |
