| SpectraBase Compound ID | 40UD4RBDokM |
|---|---|
| InChI | InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h2-3,5,7-8H,1,4,6H2 |
| InChIKey | XMKHWYZYCPBATG-UHFFFAOYSA-N |
| Mol Weight | 109.17 g/mol |
| Molecular Formula | C7H11N |
| Exact Mass | 109.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H76GVXcHqj6 |
|---|---|
| Name | 2-Allyl-2,5-dihydro-1H-pyrrole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 109.089149358 u |
| Formula | C7H11N |
| InChI | InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h2-3,5,7-8H,1,4,6H2 |
| InChIKey | XMKHWYZYCPBATG-UHFFFAOYSA-N |
| Molecular Weight | 109.172 g/mol |
| SMILES | C1(NCC=C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826843 |