Dothiepin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001292
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001292 contains the MS mass spectrum of Dothiepin with the InChIkey PHTUQLWOUWZIMZ-BOPFTXTBSA-N.
Source: Dothiepin
Chemical Info
| InChI | InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- |
|---|---|
| SMILES | CN(C)CCC=C(c21)c(c3)c(ccc3)SCc(cccc2)1 |
| InChI Key | PHTUQLWOUWZIMZ-BOPFTXTBSA-N |
| Molecular Formula | C19H21NS |
| Exact Mass | 295.139 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 | 18f8a449-87b9-40bf-8d96-ef9f6d0fddf4 |
| Package id | msbnk-waters-wa001292 |
| Resource type | HTML |
| State | active |