![5,10-Diacetyl(cyclohexano)[b,e]pyrazine](/api/spectrum/EyaFLRvebnr/structure.png?h=300&w=458 "5,10-Diacetyl(cyclohexano)[b,e]pyrazine")
| SpectraBase Compound ID | 983TdDyeypT |
|---|---|
| InChI | InChI=1S/C16H22N2O2/c1-11(19)17-13-7-3-5-9-15(13)18(12(2)20)16-10-6-4-8-14(16)17/h3-10H2,1-2H3 |
| InChIKey | WLKKKRHCWRERCY-UHFFFAOYSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C16H22N2O2 |
| Exact Mass | 274.168128 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EyaFLRvebnr |
|---|---|
| Name | 5,10-Diacetyl(cyclohexano)[B,E]pyrazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.168127954 u |
| Formula | C16H22N2O2 |
| InChI | InChI=1S/C16H22N2O2/c1-11(19)17-13-7-3-5-9-15(13)18(12(2)20)16-10-6-4-8-14(16)17/h3-10H2,1-2H3 |
| InChIKey | WLKKKRHCWRERCY-UHFFFAOYSA-N |
| SMILES | C1=2N(C3=C(N(C2CCCC1)C(=O)C)CCCC3)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815094 |