| SpectraBase Compound ID | HJMK109vnFu |
|---|---|
| InChI | InChI=1S/C8H11NO2/c1-4-9-7(10)5(2)6(3)8(9)11/h4H2,1-3H3 |
| InChIKey | CJYXUTUOHLTFKA-UHFFFAOYSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ElUMDkVm3lt |
|---|---|
| Name | 1-Ethyl-3,4-dimethyl-3-pyrroline-2,5-quinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.078978596 u |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c1-4-9-7(10)5(2)6(3)8(9)11/h4H2,1-3H3 |
| InChIKey | CJYXUTUOHLTFKA-UHFFFAOYSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | C1(N(C(C(=C1C)C)=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900501 |