SpectraBase Compound ID | JuavpeEPjMM |
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InChI | InChI=1S/C7H11N/c1-6-4-3-5-8-7(6)2/h3-7H,1-2H3 |
InChIKey | WMHRLCGQEILUCD-UHFFFAOYSA-N |
Mol Weight | 109.17 g/mol |
Molecular Formula | C7H11N |
Exact Mass | 109.089149 g/mol |
SpectraBase Spectrum ID | L2NmbpmR7OQ |
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Name | 2,3-Dimethyl-2,3-dihydropyridine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 109.089149358 u |
Formula | C7H11N |
InChI | InChI=1S/C7H11N/c1-6-4-3-5-8-7(6)2/h3-7H,1-2H3 |
InChIKey | WMHRLCGQEILUCD-UHFFFAOYSA-N |
Molecular Weight | 109.172 g/mol |
SMILES | C1(N=CC=CC1C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844421 |