| SpectraBase Compound ID | 1QpNebAI0jA |
|---|---|
| InChI | InChI=1S/C6H12ClN/c1-5(2)8-6(3)4-7/h5H,4H2,1-3H3/b8-6+ |
| InChIKey | PLXYLIMVCYSKGB-SOFGYWHQSA-N |
| Mol Weight | 133.62 g/mol |
| Molecular Formula | C6H12ClN |
| Exact Mass | 133.065827 g/mol |
| SpectraBase Spectrum ID | JZ603iRE2xv |
|---|---|
| Name | N-(1-Chloro-2-propylidene)isopropylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 133.065827090 u |
| Formula | C6H12ClN |
| InChI | InChI=1S/C6H12ClN/c1-5(2)8-6(3)4-7/h5H,4H2,1-3H3/b8-6+ |
| InChIKey | PLXYLIMVCYSKGB-SOFGYWHQSA-N |
| Molecular Weight | 133.622 g/mol |
| SMILES | C(\C(=N\C(C)C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962576 |