| SpectraBase Compound ID | HygFEHXgHaK |
|---|---|
| InChI | InChI=1S/C3H2Cl3NO/c4-3(5,6)2(8)1-7/h2,8H |
| InChIKey | UFVLRHXFRXZBHS-UHFFFAOYSA-N |
| Mol Weight | 174.41 g/mol |
| Molecular Formula | C3H2Cl3NO |
| Exact Mass | 172.920197 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4XSvXssD0mE |
|---|---|
| Name | Propanenitrile, 3,3,3-trichloro-2-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.920196787 u |
| Formula | C3H2Cl3NO |
| InChI | InChI=1S/C3H2Cl3NO/c4-3(5,6)2(8)1-7/h2,8H |
| InChIKey | UFVLRHXFRXZBHS-UHFFFAOYSA-N |
| Molecular Weight | 174.414 g/mol |
| SMILES | OC(C(Cl)(Cl)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.940389 |