SpectraBase Compound ID | 2b3i4CPX9ZJ |
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InChI | InChI=1S/C16H18N2O3/c19-11-16-9-13-7-8-17(16)10-14(13)4-1-12-2-5-15(6-3-12)18(20)21/h2-3,5-6,13-14,16,19H,7-11H2 |
InChIKey | BLFFPFQPHCTQQA-UHFFFAOYSA-N |
Mol Weight | 286.33 g/mol |
Molecular Formula | C16H18N2O3 |
Exact Mass | 286.131742 g/mol |
SpectraBase Spectrum ID | LxQx13UHN4P |
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Name | 2-Hydroxymethyl-5-(4-nitrophenylethynyl)-1-azabicyclo[2.2.2]octane |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 286.131742445 u |
Formula | C16H18N2O3 |
InChI | InChI=1S/C16H18N2O3/c19-11-16-9-13-7-8-17(16)10-14(13)4-1-12-2-5-15(6-3-12)18(20)21/h2-3,5-6,13-14,16,19H,7-11H2 |
InChIKey | BLFFPFQPHCTQQA-UHFFFAOYSA-N |
SMILES | C=1(N(=O)=O)C=CC(C#CC2CN3CCC2CC3CO)=CC1 |