| SpectraBase Spectrum ID |
Hgv1qjkbmPa |
| Name |
dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-7-10-12-13-14-15-16-17-19-29-24(27)23(21(4)5)26(6)25(28)30-20-22(9-3)18-11-8-2/h21-23H,7-20H2,1-6H3 |
| InChIKey |
QYSJHHSLJUGIEJ-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89183 |
