| SpectraBase Spectrum ID |
DVUg7JLLzC0 |
| Name |
1,1-bis[ 4'-(Dimethylamino)phenyl]-3-[ 2',5'-bis(trifluoromethyl)-3'-thienyl ]-2-propyn-1-ol |
| Alternate Name(s) |
3-[2,5-bis(trifluoromethyl)-3-thienyl]-1,1-bis[4-(dimethylamino)phenyl]-2-propyn-1-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H22F6N2OS |
| InChI |
InChI=1S/C25H22F6N2OS/c1-32(2)19-9-5-17(6-10-19)23(34,18-7-11-20(12-8-18)33(3)4)14-13-16-15-21(24(26,27)28)35-22(16)25(29,30)31/h5-12,15,34H,1-4H3 |
| InChIKey |
PSCXTXDICQYNCG-UHFFFAOYSA-N |
| Molecular Weight |
512.514 g/mol |
| SMILES |
OC(C#Cc1c(sc(C(F)(F)F)c1)C(F)(F)F)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C |
| SPLASH |
splash10-03dj-0000790000-ff02317f7d57f822961c |
| Source of Spectrum |
K-127-1631-11 |
| Wiley ID |
1400762 |
![1,1-bis[ 4'-(Dimethylamino)phenyl]-3-[ 2',5'-bis(trifluoromethyl)-3'-thienyl ]-2-propyn-1-ol](/api/spectrum/DVUg7JLLzC0/structure.png?h=300&w=458 "1,1-bis[ 4'-(Dimethylamino)phenyl]-3-[ 2',5'-bis(trifluoromethyl)-3'-thienyl ]-2-propyn-1-ol")
