SpectraBase Compound ID | KMC9IIgClSR |
---|---|
InChI | InChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3 |
InChIKey | RPMPQNRTPBUGIW-UHFFFAOYSA-N |
Mol Weight | 175.27 g/mol |
Molecular Formula | C12H17N |
Exact Mass | 175.1361 g/mol |
SpectraBase Spectrum ID | D1xxdp8l5NX |
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Name | 2-(p-Tolyl)piperidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 175.136099551 u |
Formula | C12H17N |
InChI | InChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3 |
InChIKey | RPMPQNRTPBUGIW-UHFFFAOYSA-N |
Molecular Weight | 175.275 g/mol |
SMILES | C1(NCCCC1)C=1C=CC(=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984681 |