SpectraBase Compound ID | 6kXEriVhEoG |
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InChI | InChI=1S/C12H17N/c1-11-7-3-4-8-12(11)13-9-5-2-6-10-13/h3-4,7-8H,2,5-6,9-10H2,1H3 |
InChIKey | OGLZSMPGMUDNKR-UHFFFAOYSA-N |
Mol Weight | 175.27 g/mol |
Molecular Formula | C12H17N |
Exact Mass | 175.1361 g/mol |
SpectraBase Spectrum ID | FSn2T5VuPSA |
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Name | 1-(2-Methylphenyl)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/c1-11-7-3-4-8-12(11)13-9-5-2-6-10-13/h3-4,7-8H,2,5-6,9-10H2,1H3 |
InChIKey | OGLZSMPGMUDNKR-UHFFFAOYSA-N |
Molecular Weight | 175.275 g/mol |
SMILES | C1N(CCCC1)C=1C(=CC=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910877 |