| SpectraBase Compound ID | EAaVAz6mqUD |
|---|---|
| InChI | InChI=1S/C16H11ClO2/c1-12(18)19-16-10-9-15(17)11-14(16)8-7-13-5-3-2-4-6-13/h2-6,9-11H,1H3 |
| InChIKey | UBANOWGIRPDQNF-UHFFFAOYSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C16H11ClO2 |
| Exact Mass | 270.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2jynyWzX51x |
|---|---|
| Name | p-Chloro-o-(phenylethynyl)phenyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.044757292 u |
| Formula | C16H11ClO2 |
| InChI | InChI=1S/C16H11ClO2/c1-12(18)19-16-10-9-15(17)11-14(16)8-7-13-5-3-2-4-6-13/h2-6,9-11H,1H3 |
| InChIKey | UBANOWGIRPDQNF-UHFFFAOYSA-N |
| SMILES | C(#CC1=CC=CC=C1)C=1C(OC(=O)C)=CC=C(C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935961 |