| SpectraBase Compound ID | 5gk5qA55NdJ |
|---|---|
| InChI | InChI=1S/C6H9NO2/c1-4(7)5-2-3-9-6(5)8/h2-3,7H2,1H3/b5-4+ |
| InChIKey | MNQICXITKQRPON-SNAWJCMRSA-N |
| Mol Weight | 127.14 g/mol |
| Molecular Formula | C6H9NO2 |
| Exact Mass | 127.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8HcsQ05Wxw |
|---|---|
| Name | 2-(1'-Aminoethylidene)-butyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.063328532 u |
| Formula | C6H9NO2 |
| InChI | InChI=1S/C6H9NO2/c1-4(7)5-2-3-9-6(5)8/h2-3,7H2,1H3/b5-4+ |
| InChIKey | MNQICXITKQRPON-SNAWJCMRSA-N |
| Molecular Weight | 127.143 g/mol |
| SMILES | C1(\C(CCO1)=C/(N)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952787 |