Penfluridol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002207
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002207 contains the MS mass spectrum of Penfluridol with the InChIkey MDLAAYDRRZXJIF-UHFFFAOYSA-N.
Source: Penfluridol
Chemical Info
| InChI | InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 |
|---|---|
| SMILES | N(CCCC(c(c4)ccc(c4)F)c(c3)ccc(c3)F)(C2)CCC(C2)(c(c1)cc(c(c1)Cl)C(F)(F)F)O |
| InChI Key | MDLAAYDRRZXJIF-UHFFFAOYSA-N |
| Molecular Formula | C28H27ClF5NO |
| Exact Mass | 523.170 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 | 552ec042-8c1e-48f4-9fb0-e1d8196e748e |
| Package id | msbnk-waters-wa002207 |
| Resource type | HTML |
| State | active |