| SpectraBase Spectrum ID |
1JvP6j4JCvH |
| Name |
Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.366159058 u |
| Formula |
C27H49NO4 |
| InChI |
InChI=1S/C27H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-31-26(29)25(24-20-17-16-18-21-24)28-27(30)32-22-6-4-2/h4,24-25H,2-3,5-23H2,1H3,(H,28,30) |
| InChIKey |
WCKZCKXGOOYHOC-UHFFFAOYSA-N |
| Molecular Weight |
451.692 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCCC=C)C(OCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813322 |
