Dataset
Warfarin
Chemical Info
InChI | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3 |
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SMILES | O=C\1c3c(OC(/O)=C/1C(c2ccccc2)CC(=O)C)cccc3 |
InChI Key | QTXVAVXCBMYBJW-UHFFFAOYSA-N |
Molecular Formula | C19H16O4 |
Exact Mass | 308.105 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ310305 |
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Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T14:39:06.899555 |
MetadataModified | 2024-01-11T14:39:07.058370 |
MetadataPublished | 2015-08-25 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |