![6-Methyl-4.alpha.-propionyl-3.beta.-p-tolyl-6-azabicyclo[3.2.2]nonane](/api/spectrum/ENRfpb6ML1F/structure.png?h=300&w=458 "6-Methyl-4.alpha.-propionyl-3.beta.-p-tolyl-6-azabicyclo[3.2.2]nonane")
| SpectraBase Compound ID | JTFYw9dENHy |
|---|---|
| InChI | InChI=1S/C19H27NO/c1-4-18(21)19-16(15-8-5-13(2)6-9-15)11-14-7-10-17(19)20(3)12-14/h5-6,8-9,14,16-17,19H,4,7,10-12H2,1-3H3/t14-,16+,17+,19+/m0/s1 |
| InChIKey | XWCVWWQBKBWVBE-KNIMUDFMSA-N |
| Mol Weight | 285.43 g/mol |
| Molecular Formula | C19H27NO |
| Exact Mass | 285.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ENRfpb6ML1F |
|---|---|
| Name | 6-Methyl-4.alpha.-propionyl-3.beta.-p-tolyl-6-azabicyclo[3.2.2]nonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.209264492 u |
| Formula | C19H27NO |
| InChI | InChI=1S/C19H27NO/c1-4-18(21)19-16(15-8-5-13(2)6-9-15)11-14-7-10-17(19)20(3)12-14/h5-6,8-9,14,16-17,19H,4,7,10-12H2,1-3H3/t14-,16+,17+,19+/m0/s1 |
| InChIKey | XWCVWWQBKBWVBE-KNIMUDFMSA-N |
| SMILES | [C@@]1([C@@](C2=CC=C(C=C2)C)(C[C@@]2(CC[C@]1(N(C2)C)[H])[H])[H])(C(=O)CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85575 |