SpectraBase Compound ID | Apf2OJNFhdW |
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InChI | InChI=1S/C9H10Cl2O/c10-6-5-8-3-1-2-4-9(8)12-7-11/h1-4H,5-7H2 |
InChIKey | DUAKWKDSDZIALY-UHFFFAOYSA-N |
Mol Weight | 205.08 g/mol |
Molecular Formula | C9H10Cl2O |
Exact Mass | 204.01087 g/mol |
SpectraBase Spectrum ID | COz2692HVO |
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Name | Benzene, 1-ethyl-2-methoxy-, dichloro deriv. |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 204.010870341 u |
Formula | C9H10Cl2O |
InChI | InChI=1S/C9H10Cl2O/c10-6-5-8-3-1-2-4-9(8)12-7-11/h1-4H,5-7H2 |
InChIKey | DUAKWKDSDZIALY-UHFFFAOYSA-N |
Molecular Weight | 205.084 g/mol |
SMILES | C1(=C(CCCl)C=CC=C1)OCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805598 |