| SpectraBase Spectrum ID |
65YsIeHYC2I |
| Name |
L-Threonine, N,o-bis(methoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.084851820 u |
| Formula |
C9H15NO7 |
| InChI |
InChI=1S/C9H15NO7/c1-5(17-9(13)16-4)6(7(11)14-2)10-8(12)15-3/h5-6H,1-4H3,(H,10,12) |
| InChIKey |
CDEGCPXHGQHNFQ-UHFFFAOYSA-N |
| Molecular Weight |
249.219 g/mol |
| SMILES |
C(C(C(OC)=O)NC(OC)=O)(C)OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979976 |
