| SpectraBase Compound ID | LiuQIMTTzUJ |
|---|---|
| InChI | InChI=1S/C9H18ClN/c1-9(2,3)11-6-4-5-8(10)7-11/h8H,4-7H2,1-3H3 |
| InChIKey | XCNIUHGGQNTUMP-UHFFFAOYSA-N |
| Mol Weight | 175.7 g/mol |
| Molecular Formula | C9H18ClN |
| Exact Mass | 175.112777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bcv0wHNJ0Xo |
|---|---|
| Name | Piperidine, 3-chloro-1-(1,1-dimethylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.112777284 u |
| Formula | C9H18ClN |
| InChI | InChI=1S/C9H18ClN/c1-9(2,3)11-6-4-5-8(10)7-11/h8H,4-7H2,1-3H3 |
| InChIKey | XCNIUHGGQNTUMP-UHFFFAOYSA-N |
| Molecular Weight | 175.703 g/mol |
| SMILES | C(N1CC(Cl)CCC1)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896693 |