| SpectraBase Compound ID | Ky7uLaa3L9C |
|---|---|
| InChI | InChI=1S/C7H13NO5/c1-4(9)5(6(10)12-2)8-7(11)13-3/h4-5,9H,1-3H3,(H,8,11) |
| InChIKey | PWTOUDIHPVPRGF-UHFFFAOYSA-N |
| Mol Weight | 191.18 g/mol |
| Molecular Formula | C7H13NO5 |
| Exact Mass | 191.079373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8q5kyqicW4r |
|---|---|
| Name | L-Threonine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.079372518 u |
| Formula | C7H13NO5 |
| InChI | InChI=1S/C7H13NO5/c1-4(9)5(6(10)12-2)8-7(11)13-3/h4-5,9H,1-3H3,(H,8,11) |
| InChIKey | PWTOUDIHPVPRGF-UHFFFAOYSA-N |
| Molecular Weight | 191.183 g/mol |
| SMILES | C(C(NC(OC)=O)C(C)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927135 |