| SpectraBase Compound ID | FWCsiZtgV2i |
|---|---|
| InChI | InChI=1S/C9H5Cl3O/c1-2-3-13-6-4-7(10)9(12)8(11)5-6/h1,4-5H,3H2 |
| InChIKey | YTHZQQDOUCKVMZ-UHFFFAOYSA-N |
| Mol Weight | 235.5 g/mol |
| Molecular Formula | C9H5Cl3O |
| Exact Mass | 233.940598 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GkVtzKP5HRe |
|---|---|
| Name | Ether, 2-propynyl 3,4,5-trichlorophenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.940597880 u |
| Formula | C9H5Cl3O |
| InChI | InChI=1S/C9H5Cl3O/c1-2-3-13-6-4-7(10)9(12)8(11)5-6/h1,4-5H,3H2 |
| InChIKey | YTHZQQDOUCKVMZ-UHFFFAOYSA-N |
| Molecular Weight | 235.497 g/mol |
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)OCC#C |
| Spectrum/Structure Validation Score (Raman) | 0.969988 |