SpectraBase Compound ID | 3EpxVNo2Uyh |
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InChI | InChI=1S/C7H5Cl3O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H |
InChIKey | FRAMETSKMUTEFA-UHFFFAOYSA-N |
Mol Weight | 211.47 g/mol |
Molecular Formula | C7H5Cl3O |
Exact Mass | 209.940598 g/mol |
SpectraBase Spectrum ID | 1hNYpQUXGnA |
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Name | 1-Chloro-4-(dichloromethoxy)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 209.940597880 u |
Formula | C7H5Cl3O |
InChI | InChI=1S/C7H5Cl3O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H |
InChIKey | FRAMETSKMUTEFA-UHFFFAOYSA-N |
Molecular Weight | 211.475 g/mol |
SMILES | C(OC=1C=CC(=CC1)Cl)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939411 |