| SpectraBase Spectrum ID |
HBe7F6hmeE |
| Name |
Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.287908736 u |
| Formula |
C21H39NO4 |
| InChI |
InChI=1S/C21H39NO4/c1-5-7-11-17(6-2)15-26-21(24)22-19(18-12-9-8-10-13-18)20(23)25-14-16(3)4/h16-19H,5-15H2,1-4H3,(H,22,24) |
| InChIKey |
PAFLSJGABCJUKN-UHFFFAOYSA-N |
| Molecular Weight |
369.546 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCC(CC)CCCC)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881514 |
