| SpectraBase Compound ID | 2ow9BSeb66y |
|---|---|
| InChI | InChI=1S/C5H7NO2/c1-3-4(6)2-8-5(3)7/h4H,1-2,6H2 |
| InChIKey | YLMASQDVEULNQD-UHFFFAOYSA-N |
| Mol Weight | 113.12 g/mol |
| Molecular Formula | C5H7NO2 |
| Exact Mass | 113.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GqcJSDQK8ug |
|---|---|
| Name | .beta.-Amino-.alpha.methylene-.gamma.butryrolactone hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.047678467 u |
| Formula | C5H7NO2 |
| InChI | InChI=1S/C5H7NO2/c1-3-4(6)2-8-5(3)7/h4H,1-2,6H2 |
| InChIKey | YLMASQDVEULNQD-UHFFFAOYSA-N |
| Molecular Weight | 113.116 g/mol |
| SMILES | C1(C(OCC1N)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967651 |