| SpectraBase Compound ID | Bu9npj06iJR |
|---|---|
| InChI | InChI=1S/C4H7NO3/c1-3(6)8-2-4(5)7/h2H2,1H3,(H2,5,7) |
| InChIKey | DMLYTGPBYWHKHU-UHFFFAOYSA-N |
| Mol Weight | 117.1 g/mol |
| Molecular Formula | C4H7NO3 |
| Exact Mass | 117.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 51uxfA7ExgV |
|---|---|
| Name | 2-Amino-2-oxoethyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.042593086 u |
| Formula | C4H7NO3 |
| InChI | InChI=1S/C4H7NO3/c1-3(6)8-2-4(5)7/h2H2,1H3,(H2,5,7) |
| InChIKey | DMLYTGPBYWHKHU-UHFFFAOYSA-N |
| Molecular Weight | 117.104 g/mol |
| SMILES | C(COC(C)=O)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89452 |