| SpectraBase Compound ID | 9LFrORYX3sG |
|---|---|
| InChI | InChI=1S/C14H9Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H |
| InChIKey | IUGPZGPRLHJZAW-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C14H9Cl |
| Exact Mass | 212.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L4WCKvophOc |
|---|---|
| Name | Benzene, 1-chloro-2-(phenylethynyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.039277990 u |
| Formula | C14H9Cl |
| InChI | InChI=1S/C14H9Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H |
| InChIKey | IUGPZGPRLHJZAW-UHFFFAOYSA-N |
| Molecular Weight | 212.679 g/mol |
| SMILES | C(#CC1=C(Cl)C=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931965 |