| SpectraBase Spectrum ID |
8uSib9nUcez |
| Name |
Valine, N-methyl-N-isobutoxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.240958543 u |
| Formula |
C17H33NO4 |
| InChI |
InChI=1S/C17H33NO4/c1-12(2)9-8-10-21-16(19)15(14(5)6)18(7)17(20)22-11-13(3)4/h12-15H,8-11H2,1-7H3 |
| InChIKey |
OXANIRHQDIFJDE-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
CC(COC(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951712 |
