Pyrazolynate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000115
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000115 contains the MS2 mass spectrum of Pyrazolynate with the InChIkey ASRAWSBMDXVNLX-UHFFFAOYSA-N.
Source: Pyrazolynate
Chemical Info
| InChI | InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3 |
|---|---|
| SMILES | Cc(c3)ccc(c3)S(=O)(=O)Oc(n(C)2)c(c(C)n2)C(=O)c(c1)c(Cl)cc(Cl)c1 |
| InChI Key | ASRAWSBMDXVNLX-UHFFFAOYSA-N |
| Molecular Formula | C19H16Cl2N2O4S |
| Exact Mass | 438.021 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 | 03fc93d9-b1c9-4faf-9af8-f2c5a43c0bfc |
| Package id | msbnk-waters-wa000115 |
| Resource type | HTML |
| State | active |