| SpectraBase Compound ID | LXJtccjqEZ6 |
|---|---|
| InChI | InChI=1S/C28H43F3O/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28(29,30)31)24(32)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-22H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1 |
| InChIKey | CDPHGRDARVFAQW-OLZFZNDLSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C28H43F3O |
| Exact Mass | 452.3266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Mofxsm8v0a |
|---|---|
| Name | 4-(Trifluoromethyl)cholest-4-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H43F3O |
| InChI | InChI=1S/C28H43F3O/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28(29,30)31)24(32)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-22H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1 |
| InChIKey | CDPHGRDARVFAQW-OLZFZNDLSA-N |
| Molecular Weight | 452.646 g/mol |
| SMILES | C12=C(C(F)(F)F)C(=O)CC[C@@]2([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-0007-9251200000-67416b4b25bc121ac477 |
| Source of Spectrum | KC-0-1141-3 |
| Wiley ID | 824641 |