| SpectraBase Compound ID | 9b5RpXrsZLB |
|---|---|
| InChI | InChI=1S/C10H8ClIO/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-6H,7H2/b6-3+ |
| InChIKey | MDPFRXVUJFODAM-ZZXKWVIFSA-N |
| Mol Weight | 306.53 g/mol |
| Molecular Formula | C10H8ClIO |
| Exact Mass | 305.930838 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ix3r8IFl8Oq |
|---|---|
| Name | (E)-1-Iodo-4-(4-chlorophenyl)but-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.930837577 u |
| Formula | C10H8ClIO |
| InChI | InChI=1S/C10H8ClIO/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-6H,7H2/b6-3+ |
| InChIKey | MDPFRXVUJFODAM-ZZXKWVIFSA-N |
| Molecular Weight | 306.530 g/mol |
| SMILES | C1(\C=C\C(=O)CI)=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927117 |