MELLARIL
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003817
Dataset description:
This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003817 contains the MS mass spectrum of MELLARIL with the InChIkey KLBQZWRITKRQQV-UHFFFAOYSA-N.
Source: MELLARIL
Chemical Info
| InChI | InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 |
|---|---|
| SMILES | CSc(c4)cc(c(c4)1)N(CCC(C3)N(C)CCC3)c(c2)c(ccc2)S1 |
| InChI Key | KLBQZWRITKRQQV-UHFFFAOYSA-N |
| Molecular Formula | C21H26N2S2 |
| Exact Mass | 370.154 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 6413dc8e-e51d-4da6-b7ac-8b9e9ec68916 |
| Package id | msbnk-fac_eng_univ_tokyo-jp003817 |
| Resource type | HTML |
| State | active |