| SpectraBase Spectrum ID |
JHC4Q3zUA8M |
| Name |
o-Tert-butyl-L-threonine, N-(methoxycarbonyl)-, methyl 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/c1-7(17-11(2,3)4)8(9(13)15-5)12-10(14)16-6/h7-8H,1-6H3,(H,12,14) |
| InChIKey |
PYZCQCTYNQIREH-UHFFFAOYSA-N |
| Molecular Weight |
247.291 g/mol |
| SMILES |
C(OC(C(C(OC)=O)NC(OC)=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852192 |
