SpectraBase Compound ID | 8e2CYmYv9GH |
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InChI | InChI=1S/C18H16Cl2O4/c1-2-9-23-17(21)14-5-3-4-6-15(14)18(22)24-11-12-10-13(19)7-8-16(12)20/h3-8,10H,2,9,11H2,1H3 |
InChIKey | YMYJWOXZJDRBSX-UHFFFAOYSA-N |
Mol Weight | 367.23 g/mol |
Molecular Formula | C18H16Cl2O4 |
Exact Mass | 366.042564 g/mol |
SpectraBase Spectrum ID | Fqa0cALby9d |
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Name | Phthalic acid, 2,5-dichlorobenzyl propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 366.042564391 u |
Formula | C18H16Cl2O4 |
InChI | InChI=1S/C18H16Cl2O4/c1-2-9-23-17(21)14-5-3-4-6-15(14)18(22)24-11-12-10-13(19)7-8-16(12)20/h3-8,10H,2,9,11H2,1H3 |
InChIKey | YMYJWOXZJDRBSX-UHFFFAOYSA-N |
Molecular Weight | 367.228 g/mol |
SMILES | C1=CC(=C(C=C1)C(=O)OCC1=C(C=CC(=C1)Cl)Cl)C(=O)OCCC |