8-Chlorotheophylline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001668
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001668 contains the MS mass spectrum of 8-Chlorotheophylline with the InChIkey RYIGNEOBDRVTHA-UHFFFAOYSA-N.
Source: 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) |
|---|---|
| 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 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 36555b4d-8702-4cd4-ba3f-44f6aa43df00 |
| Package id | msbnk-waters-wa001668 |
| Resource type | HTML |
| State | active |