![2-Methyl-1,4-diazabicyclo[2.2.2]octane](/api/spectrum/91rnxhXiotw/structure.png?h=300&w=458 "2-Methyl-1,4-diazabicyclo[2.2.2]octane")
| SpectraBase Compound ID | IA0nfNpnHw3 |
|---|---|
| InChI | InChI=1S/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3 |
| InChIKey | QXKMWFFBWDHDCB-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C7H14N2 |
| Exact Mass | 126.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 91rnxhXiotw |
|---|---|
| Name | 2-Methyl-1,4-diazabicyclo[2.2.2]octane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.115698459 u |
| Formula | C7H14N2 |
| InChI | InChI=1S/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3 |
| InChIKey | QXKMWFFBWDHDCB-UHFFFAOYSA-N |
| Molecular Weight | 126.203 g/mol |
| SMILES | CC1N2CCN(C1)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878599 |