| SpectraBase Spectrum ID |
AztHwEg7Lxn |
| Name |
o-Tert-butyl-L-threonine, N-(ethoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.157622840 u |
| Formula |
C12H23NO5 |
| InChI |
InChI=1S/C12H23NO5/c1-7-17-11(15)13-9(10(14)16-6)8(2)18-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15) |
| InChIKey |
PHCZRYMCWFVNRB-UHFFFAOYSA-N |
| Molecular Weight |
261.318 g/mol |
| SMILES |
C(OC(C(C(OC)=O)NC(OCC)=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930488 |
