SpectraBase Compound ID | 423VBmG4iAK |
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InChI | InChI=1S/C11H18N2/c12-10-11(6-2-3-7-11)13-8-4-1-5-9-13/h1-9H2 |
InChIKey | WIHSUXKKKPZENV-UHFFFAOYSA-N |
Mol Weight | 178.28 g/mol |
Molecular Formula | C11H18N2 |
Exact Mass | 178.146999 g/mol |
SpectraBase Spectrum ID | 6X82r6dUfLi |
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Name | 1-Piperidinocyclopentane-1-carbonitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.146998588 u |
Formula | C11H18N2 |
InChI | InChI=1S/C11H18N2/c12-10-11(6-2-3-7-11)13-8-4-1-5-9-13/h1-9H2 |
InChIKey | WIHSUXKKKPZENV-UHFFFAOYSA-N |
Molecular Weight | 178.279 g/mol |
SMILES | C(#N)C1(N2CCCCC2)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957917 |