| SpectraBase Spectrum ID |
JaoN4Nkexyt |
| Name |
Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, decyl 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/c1-4-7-9-10-11-12-13-17-21-31-26(29)25(24-19-15-14-16-20-24)28-27(30)32-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3,(H,28,30) |
| InChIKey |
OYJSOKIMWJNJSK-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCC(CC)CCCC)C(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935706 |
