| SpectraBase Compound ID | 1BYPGHi0uyc |
|---|---|
| InChI | InChI=1S/C9H9Cl3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | QRQKPCVDBZQDGZ-UHFFFAOYSA-N |
| Mol Weight | 223.53 g/mol |
| Molecular Formula | C9H9Cl3 |
| Exact Mass | 221.976983 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 849QFnzpOpE |
|---|---|
| Name | 1,1,1-Trichlor-3-phenylpropan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.976983390 u |
| Formula | C9H9Cl3 |
| InChI | InChI=1S/C9H9Cl3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | QRQKPCVDBZQDGZ-UHFFFAOYSA-N |
| Molecular Weight | 223.530 g/mol |
| SMILES | C(Cl)(Cl)(Cl)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959924 |