SpectraBase Compound ID | I8TntsLLnjt |
---|---|
InChI | InChI=1S/C8H9Cl2NO/c1-4-6(9)8(12)7(10)5(2)11(4)3/h1-3H3 |
InChIKey | LPOBRZOJBGJACA-UHFFFAOYSA-N |
Mol Weight | 206.07 g/mol |
Molecular Formula | C8H9Cl2NO |
Exact Mass | 205.006119 g/mol |
SpectraBase Spectrum ID | Fg49l1chBZC |
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Name | 4[1H]-Pyridone, 3,5-dichloro-1,2,6-trimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 205.006119313 u |
Formula | C8H9Cl2NO |
InChI | InChI=1S/C8H9Cl2NO/c1-4-6(9)8(12)7(10)5(2)11(4)3/h1-3H3 |
InChIKey | LPOBRZOJBGJACA-UHFFFAOYSA-N |
Molecular Weight | 206.072 g/mol |
SMILES | C1(C(=C(N(C(=C1Cl)C)C)C)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942664 |