| SpectraBase Compound ID | 4AJg5SGvmRo |
|---|---|
| InChI | InChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2 |
| InChIKey | IFDRUMHFSJJIGX-UHFFFAOYSA-N |
| Mol Weight | 101.1 g/mol |
| Molecular Formula | C4H7NO2 |
| Exact Mass | 101.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FhQSeQLPAES |
|---|---|
| Name | (+-)-4-amino-4,5-dihydro-2(3H)-furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 101.047678467 u |
| Formula | C4H7NO2 |
| InChI | InChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2 |
| InChIKey | IFDRUMHFSJJIGX-UHFFFAOYSA-N |
| Molecular Weight | 101.105 g/mol |
| SMILES | C1(COC(C1)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804112 |