| SpectraBase Spectrum ID |
BAalScCJUl2 |
| Name |
[ 4'-(Dimethylamino)phenyl] [5'-ethynyl-3',4'-bis(trifluoromethyl)-2'-furyl ] phenylmethanol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.116347767 u |
| Formula |
C23H17F6NO2 |
| InChI |
InChI=1S/C23H17F6NO2/c1-4-17-18(22(24,25)26)19(23(27,28)29)20(32-17)21(31,14-8-6-5-7-9-14)15-10-12-16(13-11-15)30(2)3/h1,5-13,31H,2-3H3 |
| InChIKey |
FSMXNBRVRLFPLJ-UHFFFAOYSA-N |
| Molecular Weight |
453.384 g/mol |
| SMILES |
C=1(C(=C(C#C)OC1C(C1=CC=C(C=C1)N(C)C)(C=1C=CC=CC1)O)C(F)(F)F)C(F)(F)F |
![[ 4'-(Dimethylamino)phenyl] [5'-ethynyl-3',4'-bis(trifluoromethyl)-2'-furyl ] phenylmethanol](/api/spectrum/BAalScCJUl2/structure.png?h=300&w=458 "[ 4'-(Dimethylamino)phenyl] [5'-ethynyl-3',4'-bis(trifluoromethyl)-2'-furyl ] phenylmethanol")
