4-Methylbenzenesulfonic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00396554
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ00396554 contains the MS2 mass spectrum of 4-Methylbenzenesulfonic acid with the InChIkey JOXIMZWYDAKGHI-UHFFFAOYSA-N.
Source: 4-Methylbenzenesulfonic acid
Chemical Info
| InChI | InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O |
| InChI Key | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
| Exact Mass | 172.019 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | d40c111f-035b-4cfe-81ad-49e44ca420d9 |
| Package id | msbnk-eawag-eq00396554 |
| Resource type | HTML |
| State | active |