![3-Amino-1-azabicyclo[2.2.2]octane-3-carbonitrile](/api/spectrum/HQniu735O2u/structure.png?h=300&w=458 "3-Amino-1-azabicyclo[2.2.2]octane-3-carbonitrile")
| SpectraBase Compound ID | 38duC6JXSM3 |
|---|---|
| InChI | InChI=1S/C8H13N3/c9-5-8(10)6-11-3-1-7(8)2-4-11/h7H,1-4,6,10H2 |
| InChIKey | WVFQAXXFCPVSED-UHFFFAOYSA-N |
| Mol Weight | 151.21 g/mol |
| Molecular Formula | C8H13N3 |
| Exact Mass | 151.110947 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HQniu735O2u |
|---|---|
| Name | 3-Amino-1-azabicyclo[2.2.2]octane-3-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.110947431 u |
| Formula | C8H13N3 |
| InChI | InChI=1S/C8H13N3/c9-5-8(10)6-11-3-1-7(8)2-4-11/h7H,1-4,6,10H2 |
| InChIKey | WVFQAXXFCPVSED-UHFFFAOYSA-N |
| Molecular Weight | 151.213 g/mol |
| SMILES | C1N2CCC(C1(C#N)N)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892504 |