| SpectraBase Compound ID | 2ToNAXGvqAV |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-3-6(9)8-5-7(10)11-4-2/h3-5H2,1-2H3,(H,8,9) |
| InChIKey | XKFRTCBBCLBPOA-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FwiklIg9x4f |
|---|---|
| Name | Glycine, N-(1-oxopropyl)-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-3-6(9)8-5-7(10)11-4-2/h3-5H2,1-2H3,(H,8,9) |
| InChIKey | XKFRTCBBCLBPOA-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | CCC(NCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975722 |