| SpectraBase Compound ID | 7yQIv0CbXpq |
|---|---|
| InChI | InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | NPOGRKGIBGKRNI-UHFFFAOYSA-N |
| Mol Weight | 202.68 g/mol |
| Molecular Formula | C13H11Cl |
| Exact Mass | 202.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1sDKM3aOZis |
|---|---|
| Name | para-Chlor-benzylbenzol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.054928054 u |
| Formula | C13H11Cl |
| InChI | InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | NPOGRKGIBGKRNI-UHFFFAOYSA-N |
| Molecular Weight | 202.684 g/mol |
| SMILES | C=1(Cl)C=CC(=CC1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969852 |