| SpectraBase Spectrum ID |
GRwarRkAyrr |
| Name |
dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.428759315 u |
| Formula |
C29H57NO4 |
| InChI |
InChI=1S/C29H57NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-23-33-28(31)27(25(4)5)30(6)29(32)34-24-26(9-3)22-11-8-2/h25-27H,7-24H2,1-6H3 |
| InChIKey |
RUTJAPWWXGBBDF-UHFFFAOYSA-N |
| Molecular Weight |
483.778 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846196 |
