Dataset
8-Chlorotheophylline
Chemical Info
InChI | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
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SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl |
InChI Key | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
Molecular Formula | C7H7ClN4O2 |
Exact Mass | 214.026 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001668 |
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Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:49.855933 |
MetadataModified | 2024-01-11T22:50:50.035390 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |