| SpectraBase Spectrum ID |
Dgr3zhtPO6W |
| Name |
4-(1-Adamantyl)-5-(1,3-benzodioxol-5-yl)-3-trifluoromethyl-1H-pyrazole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21F3N2O2 |
| InChI |
InChI=1S/C21H21F3N2O2/c22-21(23,24)19-17(20-7-11-3-12(8-20)5-13(4-11)9-20)18(25-26-19)14-1-2-15-16(6-14)28-10-27-15/h1-2,6,11-13H,3-5,7-10H2,(H,25,26)/t11-,12+,13-,20- |
| InChIKey |
NMNYLOSAKJLWSZ-LOXOZFHKSA-N |
| Molecular Weight |
390.406 g/mol |
| SMILES |
[nH]1nc(c(c1-c1cc2OCOc2cc1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(F)(F)F |
| SPLASH |
splash10-0006-1109000000-72c62a1d398aaa182c3a |
| Source of Spectrum |
O1-46-1179-2d |
| Wiley ID |
1669389 |
