| SpectraBase Compound ID | J8BjiG0amIh |
|---|---|
| InChI | InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12) |
| InChIKey | XUMWMBLBTZAVLW-UHFFFAOYSA-N |
| Mol Weight | 180.64 g/mol |
| Molecular Formula | C9H9ClN2 |
| Exact Mass | 180.045426 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 28K66J3OSfO |
|---|---|
| Name | 2-(4-Chlorophenyl)-4,5-dihydro-1H-imidazole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.045425998 u |
| Formula | C9H9ClN2 |
| InChI | InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12) |
| InChIKey | XUMWMBLBTZAVLW-UHFFFAOYSA-N |
| Molecular Weight | 180.638 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C1=NCCN1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973565 |