| SpectraBase Compound ID | EDRHjvTjysW |
|---|---|
| InChI | InChI=1S/C13H10ClNO/c14-10-6-8-11(9-7-10)15-12-4-2-1-3-5-13(12)16/h1-9H,(H,15,16) |
| InChIKey | HVPPJBJFLDHQSZ-UHFFFAOYSA-N |
| Mol Weight | 231.68 g/mol |
| Molecular Formula | C13H10ClNO |
| Exact Mass | 231.045092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BNtKw2AAjBe |
|---|---|
| Name | 2-(p-Chloroanilino)tropone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.045091645 u |
| Formula | C13H10ClNO |
| InChI | InChI=1S/C13H10ClNO/c14-10-6-8-11(9-7-10)15-12-4-2-1-3-5-13(12)16/h1-9H,(H,15,16) |
| InChIKey | HVPPJBJFLDHQSZ-UHFFFAOYSA-N |
| Molecular Weight | 231.682 g/mol |
| SMILES | C1=CC(C(=CC=C1)NC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914777 |