SpectraBase Compound ID | 1Phz160GaqL |
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InChI | InChI=1S/C10H16N2/c1-3-10-5-4-6-12(8-10)9(2)7-11/h5,9H,3-4,6,8H2,1-2H3 |
InChIKey | NKRUCUYMSKUYCJ-UHFFFAOYSA-N |
Mol Weight | 164.25 g/mol |
Molecular Formula | C10H16N2 |
Exact Mass | 164.131349 g/mol |
SpectraBase Spectrum ID | HWkZyztkXZu |
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Name | 1-(1'-Cyanoethyl)-3-ethyl-1,2,5,6-tetrahydropyridin |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 164.131348523 u |
Formula | C10H16N2 |
InChI | InChI=1S/C10H16N2/c1-3-10-5-4-6-12(8-10)9(2)7-11/h5,9H,3-4,6,8H2,1-2H3 |
InChIKey | NKRUCUYMSKUYCJ-UHFFFAOYSA-N |
Molecular Weight | 164.252 g/mol |
SMILES | C1N(CCC=C1CC)C(C#N)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881362 |