SpectraBase Compound ID | 5MaYmVIDRML |
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InChI | InChI=1S/C9H10Cl2O2/c1-3-13-9-5-6(10)8(12-2)4-7(9)11/h4-5H,3H2,1-2H3 |
InChIKey | LVESOSRHQAUKSX-UHFFFAOYSA-N |
Mol Weight | 221.08 g/mol |
Molecular Formula | C9H10Cl2O2 |
Exact Mass | 220.005785 g/mol |
SpectraBase Spectrum ID | BGUdOovohUN |
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Name | 1,4-Dichloro-2-ethoxy-5-methoxybenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.005784960 u |
Formula | C9H10Cl2O2 |
InChI | InChI=1S/C9H10Cl2O2/c1-3-13-9-5-6(10)8(12-2)4-7(9)11/h4-5H,3H2,1-2H3 |
InChIKey | LVESOSRHQAUKSX-UHFFFAOYSA-N |
Molecular Weight | 221.083 g/mol |
SMILES | C1=C(C(Cl)=CC(=C1Cl)OCC)OC |
Spectrum/Structure Validation Score (Raman) | 0.907845 |