| SpectraBase Spectrum ID |
1PEkGk2JF1b |
| Name |
o-Methyl-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 |
219.110672646 u |
| Formula |
C9H17NO5 |
| InChI |
InChI=1S/C9H17NO5/c1-5-15-9(12)10-7(6(2)13-3)8(11)14-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey |
QCGKZLZJPKBIQU-UHFFFAOYSA-N |
| Molecular Weight |
219.237 g/mol |
| SMILES |
COC(C(C(OC)=O)NC(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975432 |
