SpectraBase Compound ID | 5PNv83dklDU |
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InChI | InChI=1S/C16H9Cl2FO4/c17-10-4-3-5-11(18)16(10)23-15(21)9-8-14(20)22-13-7-2-1-6-12(13)19/h1-9H/b9-8+ |
InChIKey | KKYPBSRWJNKHBH-CMDGGOBGSA-N |
Mol Weight | 355.15 g/mol |
Molecular Formula | C16H9Cl2FO4 |
Exact Mass | 353.986192 g/mol |
SpectraBase Spectrum ID | 4FEsAVAWZwz |
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Name | Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 353.986192329 u |
Formula | C16H9Cl2FO4 |
InChI | InChI=1S/C16H9Cl2FO4/c17-10-4-3-5-11(18)16(10)23-15(21)9-8-14(20)22-13-7-2-1-6-12(13)19/h1-9H/b9-8+ |
InChIKey | KKYPBSRWJNKHBH-CMDGGOBGSA-N |
Molecular Weight | 355.148 g/mol |
SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(C=CC=C1Cl)Cl)=O |