2-Methyl-5-Nitrobenzenesulfonic Acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ500955
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ500955 contains the MS2 mass spectrum of 2-Methyl-5-Nitrobenzenesulfonic Acid with the InChIkey ZDTXQHVBLWYPHS-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13) |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O |
| InChI Key | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO5S |
| Exact Mass | 217.005 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | adff653a-1518-4b99-ba17-a75b42ae93bb |
| Package id | msbnk-eawag-eq500955 |
| Resource type | HTML |
| State | active |