| SpectraBase Spectrum ID |
5Orw0QyuXe0 |
| Name |
Valine, N-methyl-N-(2-chloroethoxycarbonyl)-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.170686082 u |
| Formula |
C15H28ClNO4 |
| InChI |
InChI=1S/C15H28ClNO4/c1-11(2)7-6-9-20-14(18)13(12(3)4)17(5)15(19)21-10-8-16/h11-13H,6-10H2,1-5H3 |
| InChIKey |
DOCZZIVKRDUFPK-UHFFFAOYSA-N |
| Molecular Weight |
321.845 g/mol |
| SMILES |
CC(C)CCCOC(C(N(C(OCCCl)=O)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825688 |
