Pyridate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00320801
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ00320801 contains the MS2 mass spectrum of Pyridate with the InChIkey JTZCTMAVMHRNTR-UHFFFAOYSA-N.
Source: Pyridate
Chemical Info
| InChI | InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3 |
|---|---|
| SMILES | CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 |
| InChI Key | JTZCTMAVMHRNTR-UHFFFAOYSA-N |
| Molecular Formula | C19H23ClN2O2S |
| Exact Mass | 378.117 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 | 78a3b8e4-5d14-4f13-b1a7-9034898d27db |
| Package id | msbnk-eawag-eq00320801 |
| Resource type | HTML |
| State | active |