Dataset
Hexachlorophene
Chemical Info
InChI | InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2 |
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SMILES | OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl |
InChI Key | ACGUYXCXAPNIKK-UHFFFAOYSA-N |
Molecular Formula | C13H6Cl6O2 |
Exact Mass | 403.850 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM835553 |
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Author | |
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MetadataCreated | 2024-01-11T12:42:01.737742 |
MetadataModified | 2024-01-11T12:42:01.894624 |
MetadataPublished | 2016-12-12 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |