| SpectraBase Compound ID | CTolerZsSnK |
|---|---|
| InChI | InChI=1S/C9H18ClN/c1-6-8(10)7(2)11-9(3,4)5/h8H,6H2,1-5H3/b11-7+ |
| InChIKey | XKQPRXIBZOPXPG-YRNVUSSQSA-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 | LZY3tKFp9HQ |
|---|---|
| Name | N-(3-Chloro-2-pentylidene)-tert-butylamine |
| 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/c1-6-8(10)7(2)11-9(3,4)5/h8H,6H2,1-5H3/b11-7+ |
| InChIKey | XKQPRXIBZOPXPG-YRNVUSSQSA-N |
| Molecular Weight | 175.703 g/mol |
| SMILES | C(\C(=N\C(C)(C)C)C)(Cl)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941016 |