| SpectraBase Compound ID | DqwSVL27j2s |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-5-7-9(3,6(2)11)8(12)10(7)4/h5H,1-4H3/b7-5- |
| InChIKey | PVNMHOMKUSCNCW-ALCCZGGFSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CyBpulI1ate |
|---|---|
| Name | 3-Acetyl-4-ethylidene-1,3-dimethylazetidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-5-7-9(3,6(2)11)8(12)10(7)4/h5H,1-4H3/b7-5- |
| InChIKey | PVNMHOMKUSCNCW-ALCCZGGFSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C1(C(=O)N(\C1=C\C)C)(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982707 |