Tienilic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001521
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001521 contains the MS mass spectrum of Tienilic acid with the InChIkey AGHANLSBXUWXTB-UHFFFAOYSA-N.
Source: Tienilic acid
Chemical Info
| InChI | InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17) |
|---|---|
| SMILES | OC(=O)COc(c2)c(Cl)c(Cl)c(c2)C(=O)c(c1)scc1 |
| InChI Key | AGHANLSBXUWXTB-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl2O4S |
| Exact Mass | 329.952 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 | 7066e398-861b-47a5-bdbd-ce4284d0929b |
| Package id | msbnk-waters-wa001521 |
| Resource type | HTML |
| State | active |