| SpectraBase Compound ID | BU1LTvktghw |
|---|---|
| InChI | InChI=1S/C25H27FN2O/c1-25(2,19-11-5-3-6-12-19)28-18-15-22-23(24(28)29)20-13-7-8-14-21(20)27(22)17-10-4-9-16-26/h3,5-8,11-15,18H,4,9-10,16-17H2,1-2H3 |
| InChIKey | SMRRORRDOWXERZ-UHFFFAOYSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C25H27FN2O |
| Exact Mass | 390.210742 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KiESFsKX0ee |
|---|---|
| Name | 5-fluoro CUMYL-PeGACLONE |
| Catalog Number | 25435 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H27FN2O |
| InChI | InChI=1S/C25H27FN2O/c1-25(2,19-11-5-3-6-12-19)28-18-15-22-23(24(28)29)20-13-7-8-14-21(20)27(22)17-10-4-9-16-26/h3,5-8,11-15,18H,4,9-10,16-17H2,1-2H3 |
| InChIKey | SMRRORRDOWXERZ-UHFFFAOYSA-N |
| Molecular Weight | 390.502 g/mol |
| SMILES | C(N1C=Cc2c(C1=O)c1c([n]2CCCCCF)cccc1)(c1ccccc1)(C)C |
| SPLASH | splash10-01b9-4940000000-4bd2f34cef36349037b4 |
| Source of Spectrum | CAY-2023-432-0 |
| Wiley ID | 1888397 |