| SpectraBase Compound ID | Evr40CJxDB6 |
|---|---|
| InChI | InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h4H,3H2,1-2H3 |
| InChIKey | NKHIHGVHWGKXMQ-UHFFFAOYSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AejYxJbU4l |
|---|---|
| Name | 1-Ethyl-3-methyl-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 | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h4H,3H2,1-2H3 |
| InChIKey | NKHIHGVHWGKXMQ-UHFFFAOYSA-N |
| Molecular Weight | 139.154 g/mol |
| SMILES | C1(N(C(C=C1C)=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884371 |