| SpectraBase Spectrum ID |
8zmwA4HLbAa |
| Name |
L-Valine, N-methyl-N-(isopropyloxycarbonyl)-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.178358285 u |
| Formula |
C13H25NO4 |
| InChI |
InChI=1S/C13H25NO4/c1-8(2)11(12(15)17-9(3)4)14(7)13(16)18-10(5)6/h8-11H,1-7H3 |
| InChIKey |
SAGNOCPQCMOFMD-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
CC(C(C(OC(C)C)=O)N(C)C(OC(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917969 |
