| SpectraBase Compound ID | 9hMQUEfKiL9 |
|---|---|
| InChI | InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1 |
| InChIKey | PMLJIHNCYNOQEQ-REOHCLBHSA-N |
| Mol Weight | 132.12 g/mol |
| Molecular Formula | C4H8N2O3 |
| Exact Mass | 132.053492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | It7f9Y4QEBh |
|---|---|
| Name | L-Isoasparagine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.053492123 u |
| Formula | C4H8N2O3 |
| InChI | InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1 |
| InChIKey | PMLJIHNCYNOQEQ-REOHCLBHSA-N |
| Molecular Weight | 132.119 g/mol |
| SMILES | C([C@](CC(O)=O)(N)[H])(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970372 |