![Azacycloheptane, 3-[1-pyrrolidyl]-](/api/spectrum/27ZluHcSuKr/structure.png?h=300&w=458 "Azacycloheptane, 3-[1-pyrrolidyl]-")
| SpectraBase Compound ID | F63uune4D9M |
|---|---|
| InChI | InChI=1S/C10H20N2/c1-2-6-11-9-10(5-1)12-7-3-4-8-12/h10-11H,1-9H2 |
| InChIKey | WAEIGZMDLGOBLR-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C10H20N2 |
| Exact Mass | 168.162649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 27ZluHcSuKr |
|---|---|
| Name | Azacycloheptane, 3-[1-pyrrolidyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.162648652 u |
| Formula | C10H20N2 |
| InChI | InChI=1S/C10H20N2/c1-2-6-11-9-10(5-1)12-7-3-4-8-12/h10-11H,1-9H2 |
| InChIKey | WAEIGZMDLGOBLR-UHFFFAOYSA-N |
| Molecular Weight | 168.284 g/mol |
| SMILES | C1CNCC(CC1)N1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98215 |