| SpectraBase Spectrum ID |
BODVohbslbr |
| Name |
L-Threonine, N-(isopropyloxycarbonyl)-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.141972775 u |
| Formula |
C11H21NO5 |
| InChI |
InChI=1S/C11H21NO5/c1-6(2)16-10(14)9(8(5)13)12-11(15)17-7(3)4/h6-9,13H,1-5H3,(H,12,15) |
| InChIKey |
VYPIFFBAOBZIQX-UHFFFAOYSA-N |
| Molecular Weight |
247.291 g/mol |
| SMILES |
C(C(C(OC(C)C)=O)NC(OC(C)C)=O)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87952 |
