| SpectraBase Spectrum ID |
AspTZCj4aJ9 |
| Name |
o-Tert-butyl-L-threonine, N-(isopropyloxycarbonyl)-, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.220223097 u |
| Formula |
C16H31NO5 |
| InChI |
InChI=1S/C16H31NO5/c1-10(2)20-14(19)17-12(11(3)21-15(4,5)6)13(18)22-16(7,8)9/h10-12H,1-9H3,(H,17,19) |
| InChIKey |
PPTNHZJYSWHCSB-UHFFFAOYSA-N |
| Molecular Weight |
317.426 g/mol |
| SMILES |
CC(C(C(OC(C)(C)C)=O)NC(OC(C)C)=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92913 |
