![1-[alpha-(Trichloromethyl)benzyl]piperidine](/api/spectrum/8xygN2W0IKz/structure.png?h=300&w=458 "1-[alpha-(Trichloromethyl)benzyl]piperidine")
| SpectraBase Compound ID | DGSdLhYdToh |
|---|---|
| InChI | InChI=1S/C13H16Cl3N/c14-13(15,16)12(11-7-3-1-4-8-11)17-9-5-2-6-10-17/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | BTCUFQLKZHVSNO-UHFFFAOYSA-N |
| Mol Weight | 292.64 g/mol |
| Molecular Formula | C13H16Cl3N |
| Exact Mass | 291.034833 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8xygN2W0IKz |
|---|---|
| Name | 1-[alpha-(Trichloromethyl)benzyl]piperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.034832619 u |
| Formula | C13H16Cl3N |
| InChI | InChI=1S/C13H16Cl3N/c14-13(15,16)12(11-7-3-1-4-8-11)17-9-5-2-6-10-17/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | BTCUFQLKZHVSNO-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C(N1CCCCC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.98392 |