SpectraBase Compound ID | 97AncRirv9S |
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InChI | InChI=1S/C9H8Cl2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3/i1D3 |
InChIKey | AWSBKDYHGOOSML-FIBGUPNXSA-N |
Mol Weight | 238.08 g/mol |
Molecular Formula | C9H52D3Cl2O3 |
Exact Mass | 237.00388 g/mol |
SpectraBase Spectrum ID | 68LxSfM6TPJ |
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Name | Methyl-3,6-dichloro-2-(trideutero)methoxybenzoate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H5D3Cl2O3 |
InChI | InChI=1S/C9H8Cl2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3/i1D3 |
InChIKey | AWSBKDYHGOOSML-FIBGUPNXSA-N |
Molecular Weight | 238.084 g/mol |
SMILES | C(c1c(c(ccc1Cl)Cl)OC([2D])([2D])[2D])(=O)OC |
SPLASH | splash10-0kmi-9530000000-54b9d16ee409b261bd65 |
Source of Spectrum | O-20-521-3 |
Wiley ID | 1235383 |