SpectraBase Compound ID | KjWsMK8Vjh1 |
---|---|
InChI | InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3 |
InChIKey | AUFIRGPROMANKW-UHFFFAOYSA-N |
Mol Weight | 97.16 g/mol |
Molecular Formula | C6H11N |
Exact Mass | 97.089149 g/mol |
SpectraBase Spectrum ID | CEk9lWwMzjf |
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Name | 1-Methyl-1,2,3,6-tetrahydropyridine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 97.089149358 u |
Formula | C6H11N |
InChI | InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3 |
InChIKey | AUFIRGPROMANKW-UHFFFAOYSA-N |
Molecular Weight | 97.161 g/mol |
SMILES | C1CN(CC=C1)C |
Spectrum/Structure Validation Score (Raman) | 0.903228 |