| SpectraBase Spectrum ID |
H874CKkhJte |
| Name |
o-Tert-butyl-N-methoxycarbonyl-L-threonine, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.188922968 u |
| Formula |
C14H27NO5 |
| InChI |
InChI=1S/C14H27NO5/c1-9(19-13(2,3)4)10(15-12(17)18-8)11(16)20-14(5,6)7/h9-10H,1-8H3,(H,15,17) |
| InChIKey |
WENMQRWFVLVQKF-UHFFFAOYSA-N |
| SMILES |
CC(C(C(OC(C)(C)C)=O)NC(OC)=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809496 |
