| SpectraBase Spectrum ID |
9mqA0l1LTGU |
| Name |
o-Tert-butyl-L-threonine, N-(N-propyloxycarbonyl)-, 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/c1-7-8-18-12(16)14-10(11(15)17-6)9(2)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey |
KBMVADZCBOCNAW-UHFFFAOYSA-N |
| Molecular Weight |
275.345 g/mol |
| SMILES |
C(OC(C(C(OC)=O)NC(OCCC)=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890694 |
