| SpectraBase Compound ID | 5Ym9E7OabNS |
|---|---|
| InChI | InChI=1S/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2 |
| InChIKey | BKDMXVREWXKZLB-UHFFFAOYSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fk7GQcSawSK |
|---|---|
| Name | 3-Benzylpiperidine |
| 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/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2 |
| InChIKey | BKDMXVREWXKZLB-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C1NCCCC1CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971256 |