| SpectraBase Spectrum ID |
1Zuauy1jSGT |
| Name |
o-Tert-butyl-L-threonine, N-(isopropyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.173272904 u |
| Formula |
C13H25NO5 |
| InChI |
InChI=1S/C13H25NO5/c1-8(2)18-12(16)14-10(11(15)17-7)9(3)19-13(4,5)6/h8-10H,1-7H3,(H,14,16) |
| InChIKey |
VAQKDWWGKJZORS-UHFFFAOYSA-N |
| Molecular Weight |
275.345 g/mol |
| SMILES |
C(OC(C(C(OC)=O)NC(OC(C)C)=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937156 |
