SpectraBase Compound ID | 9ciewWT4ZjI |
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InChI | InChI=1S/C9H10Cl2O2/c1-6(12)5-13-7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3 |
InChIKey | USFNKTVZPJKYPB-UHFFFAOYSA-N |
Mol Weight | 221.08 g/mol |
Molecular Formula | C9H10Cl2O2 |
Exact Mass | 220.005785 g/mol |
SpectraBase Spectrum ID | HGIModW2ZBu |
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Name | 2-Propanol, 1-(3,4-dichlorophenoxy)- |
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/c1-6(12)5-13-7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3 |
InChIKey | USFNKTVZPJKYPB-UHFFFAOYSA-N |
Molecular Weight | 221.083 g/mol |
SMILES | C(OC1=CC(Cl)=C(C=C1)Cl)C(C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811271 |