| SpectraBase Spectrum ID |
5t2SLPnO9pg |
| Name |
dl-Valine, N-methyl-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 |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-7-10-12-13-14-15-16-17-18-19-21-31-26(29)25(23(4)5)28(6)27(30)32-22-24(9-3)20-11-8-2/h23-25H,7-22H2,1-6H3 |
| InChIKey |
VBJSNIFZNZICRE-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875169 |
