| SpectraBase Compound ID | BWYgcO0apii |
|---|---|
| InChI | InChI=1S/C7H12ClN/c1-3-7(8)4-5-9-6(7)2/h3-5H2,1-2H3 |
| InChIKey | XPOZWWDYVZIFJT-UHFFFAOYSA-N |
| Mol Weight | 145.63 g/mol |
| Molecular Formula | C7H12ClN |
| Exact Mass | 145.065827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 99ZTrRLsw66 |
|---|---|
| Name | 3-Chloro-3-ethyl-2-methyl-1-pyrroline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.065827090 u |
| Formula | C7H12ClN |
| InChI | InChI=1S/C7H12ClN/c1-3-7(8)4-5-9-6(7)2/h3-5H2,1-2H3 |
| InChIKey | XPOZWWDYVZIFJT-UHFFFAOYSA-N |
| Molecular Weight | 145.633 g/mol |
| SMILES | C1(Cl)(C(C)=NCC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833551 |