| SpectraBase Compound ID | DhCC3GWNDQc |
|---|---|
| InChI | InChI=1S/C4H5Cl3/c1-3(2)4(5,6)7/h1H2,2H3 |
| InChIKey | AIZNASPCDNJRSP-UHFFFAOYSA-N |
| Mol Weight | 159.44 g/mol |
| Molecular Formula | C4H5Cl3 |
| Exact Mass | 157.945683 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7HwM9ef9MSK |
|---|---|
| Name | 1-Propene, 3,3,3-trichloro-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.945683261 u |
| Formula | C4H5Cl3 |
| InChI | InChI=1S/C4H5Cl3/c1-3(2)4(5,6)7/h1H2,2H3 |
| InChIKey | AIZNASPCDNJRSP-UHFFFAOYSA-N |
| Molecular Weight | 159.443 g/mol |
| SMILES | C(C(Cl)(Cl)Cl)(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865383 |