| SpectraBase Spectrum ID |
FEcDnxEh4z0 |
| Name |
Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.428759315 u |
| Formula |
C30H57NO4 |
| InChI |
InChI=1S/C30H57NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34-29(32)28(27-22-19-18-20-23-27)31-30(33)35-25-26(2)3/h26-28H,4-25H2,1-3H3,(H,31,33) |
| InChIKey |
KDVHUUQYDSMUEC-UHFFFAOYSA-N |
| Molecular Weight |
495.789 g/mol |
| SMILES |
C1CC(CCC1)C(NC(=O)OCC(C)C)C(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876055 |
