| SpectraBase Spectrum ID |
JmUO5tslX0Q |
| Name |
Androsta-1,4,6-triene-3,17-dione, 6-(trifluoromethoxy)- |
| Alternate Name(s) |
6-(trifluoromethoxy)androsta-1,4,6-triene-3,17-dione |
| CAS Registry Number |
82423-39-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21F3O3 |
| InChI |
InChI=1S/C20H21F3O3/c1-18-7-5-11(24)9-15(18)16(26-20(21,22)23)10-12-13-3-4-17(25)19(13,2)8-6-14(12)18/h5,7,9-10,12-14H,3-4,6,8H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1 |
| InChIKey |
XVBCYYGCJSMWJV-IEVKOWOJSA-N |
| Molecular Weight |
366.380 g/mol |
| SMILES |
[C@]12(C(C(OC(F)(F)F)=C[C@@]3([C@@]2(CC[C@@]2(C(=O)CC[C@@]32[H])C)[H])[H])=CC(C=C1)=O)C |
| SPLASH |
splash10-014i-0309000000-1733db2d41e6e66efe50 |
| Source of Spectrum |
KC-1982-1109-0 |
| Wiley ID |
1351931 |
