| SpectraBase Compound ID | 4Bf6xs65OWe |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| InChIKey | RERINLRFXYGZEE-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9y4wDDYIrGG |
|---|---|
| Name | Acetic acid, (3,5-dichloro-phenyl)-; benzeneacetic acid, 3,5-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.974484831 u |
| Formula | C8H6Cl2O2 |
| InChI | InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| InChIKey | RERINLRFXYGZEE-UHFFFAOYSA-N |
| SMILES | OC(CC1=CC(=CC(=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972806 |