| SpectraBase Compound ID | 5uG0t0P6azb |
|---|---|
| InChI | InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | XKEFYDZQGKAQCN-UHFFFAOYSA-N |
| Mol Weight | 181.45 g/mol |
| Molecular Formula | C6H3Cl3 |
| Exact Mass | 179.930033 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8IrrZXw1e6q |
|---|---|
| Name | 1,3,5-Trichlorobenzene |
| CAS Registry Number | 108-70-3 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 179.930033197 u |
| Formula | C6H3Cl3 |
| InChI | InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | XKEFYDZQGKAQCN-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 181.449 g/mol |
| Nominal Mass | 180 u |
| Quality | 923 |
| Retention Index | 1156 |
| SMILES | C1(=CC(=CC(=C1)Cl)Cl)Cl |
| SPLASH | splash10-001i-4900000000-be60c8d8b3802ce366ca |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 1,3,5-trichlorobenzene |
| Technique | GC/MS |
| Wiley ID | DD2024_023290 |