SpectraBase Compound ID | Ky9sOrAPYYD |
---|---|
InChI | InChI=1S/C24H30FN3O/c1-24(2,3)22(18-12-6-4-7-13-18)26-23(29)21-19-14-8-9-15-20(19)28(27-21)17-11-5-10-16-25/h4,6-9,12-15,22H,5,10-11,16-17H2,1-3H3,(H,26,29) |
InChIKey | XRAMUHKDZOPJDF-UHFFFAOYSA-N |
Mol Weight | 395.52 g/mol |
Molecular Formula | C24H30FN3O |
Exact Mass | 395.237291 g/mol |
SpectraBase Spectrum ID | CaocQUjhFKt |
---|---|
Name | 5-fluoro-tert-Butylbenzyl-PINACA |
Catalog Number | 23351 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C24H30FN3O |
InChI | InChI=1S/C24H30FN3O/c1-24(2,3)22(18-12-6-4-7-13-18)26-23(29)21-19-14-8-9-15-20(19)28(27-21)17-11-5-10-16-25/h4,6-9,12-15,22H,5,10-11,16-17H2,1-3H3,(H,26,29) |
InChIKey | XRAMUHKDZOPJDF-UHFFFAOYSA-N |
Molecular Weight | 395.522 g/mol |
SMILES | N(C(c1n[n](c2c1cccc2)CCCCCF)=O)C(C(C)(C)C)c1ccccc1 |
SPLASH | splash10-001i-4794000000-867c279595a64b7073dd |
Source of Spectrum | CAY-2023-713-0 |
Wiley ID | 1888672 |