| SpectraBase Spectrum ID |
CmJad2kskGS |
| Name |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.350508993 u |
| Formula |
C26H47NO4 |
| InChI |
InChI=1S/C26H47NO4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-25(28)24(23-19-16-15-17-20-23)27-26(29)31-21-6-4-2/h4,23-24H,2-3,5-22H2,1H3,(H,27,29) |
| InChIKey |
JNTBHWBCTZZLIY-UHFFFAOYSA-N |
| Molecular Weight |
437.665 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCCC=C)C(OCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818642 |
