| SpectraBase Compound ID | 18Q7gbRwee9 |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3 |
| InChIKey | OVNCGQSYSSYBPO-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7tg4GlmRGrt |
|---|---|
| Name | 2-Propionyl-1-pyrroline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3 |
| InChIKey | OVNCGQSYSSYBPO-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C1CC(C(CC)=O)=NC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970157 |