Methyl toluene-4-sulfonate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01110002
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01110002 contains the MS2 mass spectrum of Methyl toluene-4-sulfonate with the InChIkey VUQUOGPMUUJORT-UHFFFAOYSA-N.
Source: Methyl toluene-4-sulfonate
Chemical Info
| InChI | InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 |
|---|---|
| SMILES | COS(=O)(=O)C1=CC=C(C)C=C1 |
| InChI Key | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
| Exact Mass | 186.035 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 | 3b6ba104-5c1b-495e-b923-d017308e0f23 |
| Package id | msbnk-eawag-eq01110002 |
| Resource type | HTML |
| State | active |