| SpectraBase Spectrum ID |
IJztZDumzqK |
| Name |
L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-5-9-11-12-13-14-15-16-17-18-21-30-25(28)24(19-7-3)27-26(29)31-22-23(8-4)20-10-6-2/h23-24H,5-22H2,1-4H3,(H,27,29) |
| InChIKey |
IYVLHESSIACYPP-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CCCC(C(OCCCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898993 |
