3-Thiophenecarboxylic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00394
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00394 contains the MS2 mass spectrum of 3-Thiophenecarboxylic acid with the InChIkey YNVOMSDITJMNET-UHFFFAOYSA-N.
Source: 3-Thiophenecarboxylic acid
Chemical Info
| InChI | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
|---|---|
| SMILES | OC(=O)c(c1)csc1 |
| InChI Key | YNVOMSDITJMNET-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2S |
| Exact Mass | 127.993 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 | 1d509826-6c3e-4c91-98dd-d68c205aec6e |
| Package id | msbnk-fiocruz-fio00394 |
| Resource type | HTML |
| State | active |