| SpectraBase Compound ID | BJGdn073gr4 |
|---|---|
| InChI | InChI=1S/C6H11NO5/c1-11-5(9)4(3-8)7-6(10)12-2/h4,8H,3H2,1-2H3,(H,7,10) |
| InChIKey | ZJGPAXKSMSICGP-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C6H11NO5 |
| Exact Mass | 177.063722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LApc8ya5p5d |
|---|---|
| Name | L-Serine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.063722453 u |
| Formula | C6H11NO5 |
| InChI | InChI=1S/C6H11NO5/c1-11-5(9)4(3-8)7-6(10)12-2/h4,8H,3H2,1-2H3,(H,7,10) |
| InChIKey | ZJGPAXKSMSICGP-UHFFFAOYSA-N |
| Molecular Weight | 177.156 g/mol |
| SMILES | COC(=O)C(CO)NC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964824 |