| SpectraBase Compound ID | 13PvNOg8SwX |
|---|---|
| InChI | InChI=1S/C22H25F3N2O2/c1-28-16-4-3-15(8-17(16)29-2)19-18(20(27-26-19)22(23,24)25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,26,27)/t12-,13+,14-,21- |
| InChIKey | VDSKTJTVFIYXIY-GCHHLULHSA-N |
| Mol Weight | 406.45 g/mol |
| Molecular Formula | C22H25F3N2O2 |
| Exact Mass | 406.186813 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9G0OBz93IDY |
|---|---|
| Name | 4-(1-Adamantyl)-5-(3,4-dimethoxyphenyl)-3-trifluoromethyl-1H-pyrazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H25F3N2O2 |
| InChI | InChI=1S/C22H25F3N2O2/c1-28-16-4-3-15(8-17(16)29-2)19-18(20(27-26-19)22(23,24)25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,26,27)/t12-,13+,14-,21- |
| InChIKey | VDSKTJTVFIYXIY-GCHHLULHSA-N |
| Molecular Weight | 406.449 g/mol |
| SMILES | [nH]1nc(c(c1-c1cc(OC)c(cc1)OC)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(F)(F)F |
| SPLASH | splash10-0a4i-4100900000-0d851600fc3c3424d8e2 |
| Source of Spectrum | O1-46-1178-2c |
| Wiley ID | 1669390 |