| SpectraBase Compound ID | E4v4hEGCPvl |
|---|---|
| InChI | InChI=1S/C10H11Cl3/c1-7-9(5-12)2-8(4-11)3-10(7)6-13/h2-3H,4-6H2,1H3 |
| InChIKey | BWGTZDWXIAAULN-UHFFFAOYSA-N |
| Mol Weight | 237.56 g/mol |
| Molecular Formula | C10H11Cl3 |
| Exact Mass | 235.992633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Khw87yALqM9 |
|---|---|
| Name | 2-Methyl-1,3,5-tris(chloromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.992633454 u |
| Formula | C10H11Cl3 |
| InChI | InChI=1S/C10H11Cl3/c1-7-9(5-12)2-8(4-11)3-10(7)6-13/h2-3H,4-6H2,1H3 |
| InChIKey | BWGTZDWXIAAULN-UHFFFAOYSA-N |
| Molecular Weight | 237.557 g/mol |
| SMILES | C(Cl)C1=CC(=CC(=C1C)CCl)CCl |
| Spectrum/Structure Validation Score (Raman) | 0.967892 |