| SpectraBase Spectrum ID |
FiOUy0NHsAr |
| Name |
N-Butyl-2,2,3,3,3-pentafluoro-N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)propanamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.134226320 u |
| Formula |
C17H22F5NOS |
| InChI |
InChI=1S/C17H22F5NOS/c1-4-5-10-23(15(24)16(18,19)17(20,21)22)12(2)11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey |
BLDVPQKTBHHDNF-UHFFFAOYSA-N |
| Molecular Weight |
383.421 g/mol |
| SMILES |
C1(=CC=C(C=C1)SC)CC(C)N(CCCC)C(=O)C(C(F)(F)F)(F)F |
![N-Butyl-2,2,3,3,3-pentafluoro-N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)propanamide](/api/spectrum/FiOUy0NHsAr/structure.png?h=300&w=458 "N-Butyl-2,2,3,3,3-pentafluoro-N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)propanamide")
