| SpectraBase Compound ID | 8O8Hze78rHY |
|---|---|
| InChI | InChI=1S/C9H9Cl3/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5H,1-2H3 |
| InChIKey | NUMHWIOCWAQIIF-UHFFFAOYSA-N |
| Mol Weight | 223.53 g/mol |
| Molecular Formula | C9H9Cl3 |
| Exact Mass | 221.976983 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8xHb47Zmksy |
|---|---|
| Name | Benzene, 1,3-dichloro-5-(1-chloro-1-methylethyl)- |
| 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/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5H,1-2H3 |
| InChIKey | NUMHWIOCWAQIIF-UHFFFAOYSA-N |
| Molecular Weight | 223.530 g/mol |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(C)(C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.732558 |