| SpectraBase Spectrum ID |
DYYlE1kRI3G |
| Name |
4-(1-Adamantyl)-3-difluoromethyl-5-phenyl-1H-pyrazole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22F2N2 |
| InChI |
InChI=1S/C20H22F2N2/c21-19(22)18-16(17(23-24-18)15-4-2-1-3-5-15)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14,19H,6-11H2,(H,23,24)/t12-,13+,14-,20- |
| InChIKey |
LAYFXYXIUPFNQM-OYEQCZOJSA-N |
| Molecular Weight |
328.407 g/mol |
| SMILES |
[nH]1nc(c(c1-c1ccccc1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(F)F |
| SPLASH |
splash10-004i-1109000000-c422c4b069d67b3525c6 |
| Source of Spectrum |
O1-46-1179-2h |
| Wiley ID |
1669386 |
