| SpectraBase Spectrum ID |
55ejWMw1BT8 |
| Name |
dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.413109251 u |
| Formula |
C28H55NO4 |
| InChI |
InChI=1S/C28H55NO4/c1-7-10-12-13-14-15-16-17-18-19-20-22-32-27(30)26(24(4)5)29(6)28(31)33-23-25(9-3)21-11-8-2/h24-26H,7-23H2,1-6H3 |
| InChIKey |
ZIDKMEUHLNWPOW-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858296 |
