| SpectraBase Compound ID | 3dHdPvtZhDt |
|---|---|
| InChI | InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2 |
| InChIKey | CTETYYAZBPJBHE-UHFFFAOYSA-N |
| Mol Weight | 361.39 g/mol |
| Molecular Formula | C9H4Cl3IO |
| Exact Mass | 359.837243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HOxHHjSK2Sz |
|---|---|
| Name | Haloprogin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.837242848 u |
| Formula | C9H4Cl3IO |
| InChI | InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2 |
| InChIKey | CTETYYAZBPJBHE-UHFFFAOYSA-N |
| Molecular Weight | 361.393 g/mol |
| SMILES | C1(Cl)=CC(Cl)=C(C=C1Cl)OCC#CI |
| Spectrum/Structure Validation Score (Raman) | 0.75606 |